REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1t8e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGIFKK DATA SEQUENCE PKNKAQREGR EPCELDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVESSQWV AGEQQVKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.391 176.300 0.151 0.000 1.140 1 M CA 0.000 55.336 55.300 0.060 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 I N 1.352 121.961 120.570 0.065 0.000 2.769 2 I HA 0.834 5.003 4.170 -0.001 0.000 0.298 2 I C -1.644 174.463 176.117 -0.016 0.000 1.128 2 I CA -0.992 60.315 61.300 0.012 0.000 1.031 2 I CB 2.381 40.340 38.000 -0.068 0.000 1.235 2 I HN 0.418 nan 8.210 nan 0.000 0.423 3 V N 3.756 123.664 119.914 -0.010 0.000 2.459 3 V HA 0.669 4.788 4.120 -0.001 0.000 0.295 3 V C 0.041 176.103 176.094 -0.054 0.000 1.029 3 V CA -0.112 62.168 62.300 -0.034 0.000 0.874 3 V CB 1.342 33.166 31.823 0.001 0.000 0.985 3 V HN 0.909 nan 8.190 nan 0.000 0.438 4 S N 2.795 118.392 115.700 -0.172 0.000 2.720 4 S HA 0.813 5.282 4.470 -0.001 0.000 0.287 4 S C -1.896 172.800 174.600 0.160 0.000 1.168 4 S CA -0.464 57.710 58.200 -0.044 0.000 0.832 4 S CB 2.142 65.261 63.200 -0.134 0.000 1.166 4 S HN 0.992 nan 8.310 nan 0.000 0.493 5 D N -0.480 120.167 120.400 0.412 0.000 2.720 5 D HA 0.480 5.120 4.640 -0.001 0.000 0.239 5 D C -1.326 175.201 176.300 0.378 0.000 1.218 5 D CA -0.388 53.916 54.000 0.507 0.000 0.748 5 D CB 0.937 41.943 40.800 0.344 0.000 1.387 5 D HN 0.729 nan 8.370 nan 0.000 0.438 6 I N -1.610 119.142 120.570 0.304 0.000 3.145 6 I HA 0.787 4.956 4.170 -0.001 0.000 0.313 6 I C -1.232 174.910 176.117 0.042 0.000 1.122 6 I CA -0.676 60.683 61.300 0.100 0.000 0.987 6 I CB 2.437 40.513 38.000 0.127 0.000 1.236 6 I HN 0.116 nan 8.210 nan 0.000 0.453 7 E N 2.580 122.699 120.200 -0.135 0.000 2.218 7 E HA 0.720 5.070 4.350 -0.001 0.000 0.263 7 E C -1.068 175.454 176.600 -0.129 0.000 0.879 7 E CA -0.690 55.698 56.400 -0.020 0.000 0.762 7 E CB 2.192 31.953 29.700 0.102 0.000 1.166 7 E HN 0.884 nan 8.360 nan 0.000 0.415 8 A N 2.476 125.254 122.820 -0.070 0.000 2.483 8 A HA 0.425 4.744 4.320 -0.001 0.000 0.286 8 A C 0.601 178.106 177.584 -0.130 0.000 1.207 8 A CA -0.666 51.232 52.037 -0.232 0.000 0.764 8 A CB 0.802 19.715 19.000 -0.145 0.000 1.341 8 A HN 0.583 nan 8.150 nan 0.000 0.428 9 N N -0.149 118.394 118.700 -0.261 0.000 2.461 9 N HA 0.362 5.102 4.740 -0.001 0.000 0.188 9 N C 0.028 175.562 175.510 0.039 0.000 1.134 9 N CA 1.052 54.144 53.050 0.070 0.000 0.878 9 N CB 0.182 38.701 38.487 0.053 0.000 0.972 9 N HN 1.295 nan 8.380 nan 0.000 0.456 10 A N -0.530 122.226 122.820 -0.107 0.000 2.490 10 A HA 0.447 4.766 4.320 -0.001 0.000 0.292 10 A C -1.025 176.484 177.584 -0.124 0.000 1.047 10 A CA -0.866 51.093 52.037 -0.129 0.000 0.632 10 A CB -0.022 18.958 19.000 -0.033 0.000 1.323 10 A HN 0.087 nan 8.150 nan 0.000 0.448 11 L N 0.935 122.076 121.223 -0.136 0.000 2.479 11 L HA 0.080 4.419 4.340 -0.001 0.000 0.270 11 L C 1.988 178.899 176.870 0.068 0.000 1.236 11 L CA -0.263 54.533 54.840 -0.074 0.000 0.823 11 L CB 0.149 42.140 42.059 -0.114 0.000 1.098 11 L HN 0.935 nan 8.230 nan 0.000 0.500 12 L N 1.491 122.818 121.223 0.173 0.000 2.010 12 L HA -0.295 4.044 4.340 -0.001 0.000 0.219 12 L C 2.300 179.151 176.870 -0.032 0.000 1.077 12 L CA 2.136 57.011 54.840 0.059 0.000 0.773 12 L CB -0.523 41.556 42.059 0.034 0.000 0.892 12 L HN 0.668 nan 8.230 nan 0.000 0.436 13 E N -0.880 119.288 120.200 -0.054 0.000 2.160 13 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 13 E C 1.854 178.415 176.600 -0.065 0.000 0.991 13 E CA 1.598 57.945 56.400 -0.088 0.000 0.810 13 E CB -0.299 29.332 29.700 -0.115 0.000 0.742 13 E HN 0.538 nan 8.360 nan 0.000 0.466 14 S N -0.334 115.337 115.700 -0.048 0.000 2.559 14 S HA 0.152 4.622 4.470 -0.001 0.000 0.226 14 S C 0.398 174.977 174.600 -0.036 0.000 1.000 14 S CA -0.468 57.709 58.200 -0.039 0.000 0.948 14 S CB 0.804 63.985 63.200 -0.031 0.000 0.870 14 S HN 0.118 nan 8.310 nan 0.000 0.497 15 V N 4.106 123.998 119.914 -0.038 0.000 2.673 15 V HA 0.228 4.347 4.120 -0.001 0.000 0.303 15 V C 0.998 177.055 176.094 -0.061 0.000 1.046 15 V CA 1.538 63.809 62.300 -0.049 0.000 1.126 15 V CB 1.232 33.028 31.823 -0.045 0.000 0.934 15 V HN 0.584 nan 8.190 nan 0.000 0.487 16 T N 1.800 116.311 114.554 -0.071 0.000 3.407 16 T HA 0.356 4.705 4.350 -0.001 0.000 0.308 16 T C -0.181 174.465 174.700 -0.090 0.000 0.919 16 T CA -0.294 61.767 62.100 -0.065 0.000 0.960 16 T CB -0.037 68.805 68.868 -0.044 0.000 1.193 16 T HN 0.579 nan 8.240 nan 0.000 0.568 17 K N 1.075 121.383 120.400 -0.154 0.000 2.589 17 K HA 0.526 4.845 4.320 -0.001 0.000 0.253 17 K C -1.964 174.410 176.600 -0.377 0.000 0.974 17 K CA -0.867 55.289 56.287 -0.218 0.000 0.835 17 K CB 1.157 33.556 32.500 -0.168 0.000 1.272 17 K HN 0.199 nan 8.250 nan 0.000 0.444 18 F N 5.873 125.482 119.950 -0.569 0.000 2.444 18 F HA 0.299 4.825 4.527 -0.001 0.000 0.360 18 F C 0.617 176.162 175.800 -0.424 0.000 1.106 18 F CA 0.173 57.781 58.000 -0.653 0.000 1.170 18 F CB 0.602 38.826 39.000 -1.293 0.000 1.113 18 F HN 0.733 nan 8.300 nan 0.000 0.521 19 H N 5.123 123.817 119.070 -0.627 0.000 2.320 19 H HA 0.134 4.689 4.556 -0.001 0.000 0.309 19 H C 0.697 175.625 175.328 -0.666 0.000 1.057 19 H CA 1.251 57.078 56.048 -0.369 0.000 1.374 19 H CB -0.076 29.698 29.762 0.021 0.000 1.421 19 H HN 0.668 nan 8.280 nan 0.000 0.532 20 C N -2.067 116.713 119.300 -0.866 0.000 3.284 20 C HA 0.857 5.317 4.460 -0.001 0.000 0.348 20 C C 0.220 174.832 174.990 -0.631 0.000 1.448 20 C CA -0.306 58.355 59.018 -0.596 0.000 1.223 20 C CB 1.604 29.363 27.740 0.031 0.000 1.588 20 C HN 0.604 nan 8.230 nan 0.000 0.451 21 G N -0.572 108.193 108.800 -0.059 0.000 2.646 21 G HA2 0.713 4.672 3.960 -0.001 0.000 0.291 21 G HA3 0.713 4.672 3.960 -0.001 0.000 0.291 21 G C -2.106 172.961 174.900 0.279 0.000 1.445 21 G CA -0.400 44.681 45.100 -0.032 0.000 0.814 21 G HN 1.473 nan 8.290 nan 0.000 0.495 22 V N 0.644 120.754 119.914 0.326 0.000 2.841 22 V HA 0.639 4.759 4.120 -0.001 0.000 0.310 22 V C -0.630 175.726 176.094 0.437 0.000 1.090 22 V CA -0.625 61.936 62.300 0.435 0.000 0.930 22 V CB 1.981 34.005 31.823 0.335 0.000 1.014 22 V HN 0.693 nan 8.190 nan 0.000 0.425 23 I N 3.720 124.556 120.570 0.443 0.000 2.478 23 I HA 0.398 4.568 4.170 -0.001 0.000 0.287 23 I C -1.566 174.613 176.117 0.103 0.000 1.042 23 I CA -0.700 60.757 61.300 0.262 0.000 1.067 23 I CB 2.008 40.157 38.000 0.248 0.000 1.233 23 I HN 0.662 nan 8.210 nan 0.000 0.431 24 Y N 5.828 126.029 120.300 -0.165 0.000 2.335 24 Y HA 0.394 4.943 4.550 -0.001 0.000 0.339 24 Y C -0.591 175.098 175.900 -0.351 0.000 0.987 24 Y CA -0.402 57.414 58.100 -0.474 0.000 1.140 24 Y CB 1.013 38.989 38.460 -0.807 0.000 1.173 24 Y HN 0.448 nan 8.280 nan 0.000 0.486 25 D N 4.993 124.823 120.400 -0.951 0.000 2.349 25 D HA 0.083 4.723 4.640 -0.001 0.000 0.232 25 D C 0.153 176.015 176.300 -0.730 0.000 1.071 25 D CA -0.138 53.509 54.000 -0.588 0.000 0.832 25 D CB 0.669 41.276 40.800 -0.322 0.000 1.086 25 D HN 0.696 nan 8.370 nan 0.000 0.504 26 Y N 1.546 121.647 120.300 -0.333 0.000 2.315 26 Y HA -0.216 4.334 4.550 -0.001 0.000 0.288 26 Y C 2.560 178.377 175.900 -0.138 0.000 1.154 26 Y CA 1.537 59.555 58.100 -0.136 0.000 1.229 26 Y CB -0.048 38.416 38.460 0.007 0.000 0.980 26 Y HN 0.427 nan 8.280 nan 0.000 0.540 27 S N -2.016 113.679 115.700 -0.009 0.000 2.522 27 S HA -0.086 4.383 4.470 -0.001 0.000 0.227 27 S C 1.590 176.149 174.600 -0.067 0.000 0.986 27 S CA 1.134 59.321 58.200 -0.022 0.000 0.929 27 S CB -0.624 62.560 63.200 -0.026 0.000 0.769 27 S HN 0.511 nan 8.310 nan 0.000 0.529 28 T N -3.735 110.727 114.554 -0.154 0.000 3.016 28 T HA 0.643 4.992 4.350 -0.001 0.000 0.271 28 T C 0.973 175.559 174.700 -0.190 0.000 0.968 28 T CA 0.497 62.508 62.100 -0.148 0.000 0.891 28 T CB -0.031 68.745 68.868 -0.153 0.000 1.149 28 T HN 1.241 nan 8.240 nan 0.000 0.524 29 A N 0.703 123.331 122.820 -0.320 0.000 2.799 29 A HA -0.165 4.154 4.320 -0.001 0.000 0.287 29 A C 0.043 177.484 177.584 -0.238 0.000 1.484 29 A CA 1.391 53.276 52.037 -0.254 0.000 0.813 29 A CB -2.385 16.629 19.000 0.024 0.000 1.009 29 A HN 0.778 nan 8.150 nan 0.000 0.545 30 E N -1.854 118.047 120.200 -0.498 0.000 2.317 30 E HA 0.619 4.968 4.350 -0.001 0.000 0.270 30 E C -1.082 175.363 176.600 -0.258 0.000 0.885 30 E CA -0.839 55.445 56.400 -0.193 0.000 0.760 30 E CB 1.207 30.860 29.700 -0.078 0.000 1.227 30 E HN 0.372 nan 8.360 nan 0.000 0.434 31 Y N 0.351 120.675 120.300 0.041 0.000 2.310 31 Y HA 0.437 4.986 4.550 -0.001 0.000 0.326 31 Y C -0.012 175.915 175.900 0.046 0.000 1.151 31 Y CA -0.596 57.564 58.100 0.099 0.000 1.195 31 Y CB 1.259 39.803 38.460 0.139 0.000 1.210 31 Y HN 0.151 nan 8.280 nan 0.000 0.483 32 V N 2.279 122.325 119.914 0.220 0.000 2.638 32 V HA 0.409 4.528 4.120 -0.001 0.000 0.306 32 V C -0.641 175.523 176.094 0.116 0.000 1.052 32 V CA -0.938 61.411 62.300 0.083 0.000 0.885 32 V CB 2.036 33.866 31.823 0.011 0.000 0.999 32 V HN 0.796 nan 8.190 nan 0.000 0.424 33 S N 3.506 119.192 115.700 -0.024 0.000 2.525 33 S HA 0.779 5.248 4.470 -0.001 0.000 0.290 33 S C -1.307 173.211 174.600 -0.136 0.000 1.152 33 S CA -0.375 57.867 58.200 0.069 0.000 1.072 33 S CB 0.922 64.176 63.200 0.090 0.000 1.027 33 S HN 0.534 nan 8.310 nan 0.000 0.500 34 Y N 1.297 121.694 120.300 0.160 0.000 2.376 34 Y HA 0.511 5.061 4.550 -0.001 0.000 0.340 34 Y C 0.726 176.687 175.900 0.102 0.000 0.965 34 Y CA -0.896 57.304 58.100 0.167 0.000 1.078 34 Y CB 1.189 39.807 38.460 0.264 0.000 1.193 34 Y HN 0.460 nan 8.280 nan 0.000 0.452 35 R N 2.933 123.514 120.500 0.135 0.000 2.705 35 R HA 0.380 4.720 4.340 -0.001 0.000 0.246 35 R C -1.824 174.426 176.300 -0.083 0.000 1.142 35 R CA -1.956 54.037 56.100 -0.178 0.000 1.114 35 R CB 0.239 30.385 30.300 -0.257 0.000 1.256 35 R HN 0.312 nan 8.270 nan 0.000 0.536 36 P HA -0.294 nan 4.420 nan 0.000 0.219 36 P C 1.040 178.401 177.300 0.103 0.000 1.161 36 P CA 2.076 65.144 63.100 -0.054 0.000 0.909 36 P CB 0.020 31.640 31.700 -0.133 0.000 0.793 37 S N -2.379 113.351 115.700 0.051 0.000 2.555 37 S HA -0.063 4.407 4.470 -0.001 0.000 0.230 37 S C 1.227 175.903 174.600 0.126 0.000 0.978 37 S CA 0.808 59.059 58.200 0.086 0.000 0.934 37 S CB -0.808 62.422 63.200 0.050 0.000 0.766 37 S HN 0.112 nan 8.310 nan 0.000 0.533 38 D N 0.452 120.961 120.400 0.183 0.000 2.339 38 D HA 0.180 4.819 4.640 -0.001 0.000 0.217 38 D C 1.056 177.523 176.300 0.278 0.000 1.050 38 D CA -0.134 54.016 54.000 0.250 0.000 0.856 38 D CB -0.279 40.726 40.800 0.341 0.000 0.922 38 D HN 0.304 nan 8.370 nan 0.000 0.518 39 F N 2.655 122.583 119.950 -0.037 0.000 2.045 39 F HA -0.239 4.288 4.527 -0.001 0.000 0.297 39 F C 2.266 177.891 175.800 -0.291 0.000 1.114 39 F CA 1.998 59.753 58.000 -0.407 0.000 1.207 39 F CB -0.859 37.870 39.000 -0.452 0.000 0.964 39 F HN 0.047 nan 8.300 nan 0.000 0.486 40 G N -0.738 107.895 108.800 -0.279 0.000 2.440 40 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 40 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 40 G C 1.836 176.602 174.900 -0.223 0.000 1.154 40 G CA 1.250 46.134 45.100 -0.359 0.000 0.767 40 G HN 0.694 nan 8.290 nan 0.000 0.552 41 A N -0.264 122.534 122.820 -0.036 0.000 1.972 41 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 41 A C 2.167 179.763 177.584 0.020 0.000 1.169 41 A CA 1.694 53.776 52.037 0.075 0.000 0.635 41 A CB -0.573 18.574 19.000 0.245 0.000 0.810 41 A HN 0.498 nan 8.150 nan 0.000 0.446 42 Y N 0.763 120.894 120.300 -0.282 0.000 2.114 42 Y HA -0.167 4.383 4.550 -0.001 0.000 0.284 42 Y C 1.940 177.555 175.900 -0.474 0.000 1.143 42 Y CA 1.858 59.531 58.100 -0.712 0.000 1.135 42 Y CB -0.426 37.640 38.460 -0.657 0.000 0.980 42 Y HN 0.215 nan 8.280 nan 0.000 0.499 43 L N -0.171 120.691 121.223 -0.603 0.000 2.042 43 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 43 L C 2.208 178.880 176.870 -0.330 0.000 1.076 43 L CA 1.545 55.983 54.840 -0.670 0.000 0.749 43 L CB -0.788 40.758 42.059 -0.855 0.000 0.893 43 L HN 0.216 nan 8.230 nan 0.000 0.432 44 D N 0.525 120.775 120.400 -0.250 0.000 2.106 44 D HA -0.207 4.432 4.640 -0.001 0.000 0.191 44 D C 2.242 178.474 176.300 -0.113 0.000 0.997 44 D CA 1.754 55.679 54.000 -0.126 0.000 0.834 44 D CB -0.100 40.652 40.800 -0.080 0.000 0.956 44 D HN 0.326 nan 8.370 nan 0.000 0.448 45 A N 1.052 123.784 122.820 -0.148 0.000 1.873 45 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 45 A C 2.517 180.009 177.584 -0.154 0.000 1.193 45 A CA 1.302 53.266 52.037 -0.121 0.000 0.629 45 A CB -0.967 17.974 19.000 -0.098 0.000 0.826 45 A HN 0.238 nan 8.150 nan 0.000 0.447 46 L N -1.159 119.908 121.223 -0.260 0.000 2.042 46 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 46 L C 2.600 179.443 176.870 -0.044 0.000 1.076 46 L CA 1.936 56.683 54.840 -0.156 0.000 0.749 46 L CB -0.631 41.352 42.059 -0.126 0.000 0.893 46 L HN 0.485 nan 8.230 nan 0.000 0.432 47 E N -0.281 119.917 120.200 -0.005 0.000 2.268 47 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 47 E C 2.180 178.761 176.600 -0.032 0.000 0.995 47 E CA 0.780 57.178 56.400 -0.004 0.000 0.836 47 E CB 0.041 29.759 29.700 0.031 0.000 0.763 47 E HN 0.478 nan 8.360 nan 0.000 0.491 48 A N 0.795 123.591 122.820 -0.040 0.000 1.929 48 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 48 A C 1.996 179.561 177.584 -0.032 0.000 1.176 48 A CA 1.342 53.359 52.037 -0.033 0.000 0.628 48 A CB -0.214 18.767 19.000 -0.032 0.000 0.816 48 A HN 0.122 nan 8.150 nan 0.000 0.444 49 E N 0.131 120.306 120.200 -0.042 0.000 2.106 49 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 49 E C 1.753 178.335 176.600 -0.030 0.000 0.984 49 E CA 1.524 57.902 56.400 -0.037 0.000 0.806 49 E CB -0.372 29.298 29.700 -0.051 0.000 0.750 49 E HN 0.245 nan 8.360 nan 0.000 0.458 50 V N 0.791 120.678 119.914 -0.045 0.000 2.427 50 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 50 V C 2.364 178.439 176.094 -0.031 0.000 1.051 50 V CA 1.648 63.912 62.300 -0.061 0.000 1.048 50 V CB -0.928 30.837 31.823 -0.095 0.000 0.666 50 V HN 0.433 nan 8.190 nan 0.000 0.456 51 A N 0.071 122.877 122.820 -0.024 0.000 2.019 51 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 51 A C 2.196 179.785 177.584 0.010 0.000 1.164 51 A CA 1.397 53.428 52.037 -0.009 0.000 0.644 51 A CB -0.424 18.568 19.000 -0.014 0.000 0.805 51 A HN 0.554 nan 8.150 nan 0.000 0.449 52 R N -1.121 119.386 120.500 0.011 0.000 2.356 52 R HA 0.237 4.577 4.340 -0.001 0.000 0.234 52 R C 1.072 177.405 176.300 0.055 0.000 0.929 52 R CA 0.404 56.517 56.100 0.021 0.000 1.084 52 R CB -0.179 30.125 30.300 0.007 0.000 1.105 52 R HN 0.595 nan 8.270 nan 0.000 0.515 53 G N 0.857 109.715 108.800 0.098 0.000 2.225 53 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.267 53 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.267 53 G C 0.449 175.502 174.900 0.254 0.000 1.024 53 G CA 0.181 45.428 45.100 0.245 0.000 0.784 53 G HN 0.542 nan 8.290 nan 0.000 0.507 54 G N -1.304 107.559 108.800 0.106 0.000 2.494 54 G HA2 0.697 4.656 3.960 -0.001 0.000 0.270 54 G HA3 0.697 4.656 3.960 -0.001 0.000 0.270 54 G C -0.117 174.795 174.900 0.019 0.000 1.423 54 G CA -0.834 44.299 45.100 0.054 0.000 1.055 54 G HN 0.752 nan 8.290 nan 0.000 0.536 55 L N -0.517 120.680 121.223 -0.042 0.000 2.401 55 L HA 0.514 4.854 4.340 -0.001 0.000 0.266 55 L C -0.765 176.050 176.870 -0.091 0.000 0.991 55 L CA -0.561 54.216 54.840 -0.106 0.000 0.818 55 L CB 2.490 44.402 42.059 -0.244 0.000 1.321 55 L HN 0.285 nan 8.230 nan 0.000 0.413 56 I N 2.905 123.431 120.570 -0.074 0.000 2.389 56 I HA 0.380 4.550 4.170 -0.001 0.000 0.288 56 I C -0.639 175.426 176.117 -0.087 0.000 0.999 56 I CA -0.838 60.401 61.300 -0.102 0.000 1.129 56 I CB 2.039 40.002 38.000 -0.063 0.000 1.288 56 I HN 0.172 nan 8.210 nan 0.000 0.444 57 V N 6.979 126.802 119.914 -0.153 0.000 2.370 57 V HA 0.442 4.561 4.120 -0.001 0.000 0.279 57 V C -0.447 175.590 176.094 -0.095 0.000 1.029 57 V CA -0.316 61.963 62.300 -0.035 0.000 0.870 57 V CB 1.014 32.850 31.823 0.021 0.000 0.984 57 V HN 0.390 nan 8.190 nan 0.000 0.451 58 F N 2.019 122.105 119.950 0.228 0.000 2.593 58 F HA 0.523 5.049 4.527 -0.001 0.000 0.320 58 F C -0.059 175.899 175.800 0.263 0.000 1.060 58 F CA -0.931 57.220 58.000 0.251 0.000 0.940 58 F CB 1.808 40.970 39.000 0.270 0.000 1.268 58 F HN 0.507 nan 8.300 nan 0.000 0.475 59 H N 1.802 121.108 119.070 0.394 0.000 2.623 59 H HA 0.294 4.849 4.556 -0.001 0.000 0.299 59 H C 0.192 175.661 175.328 0.235 0.000 1.052 59 H CA -0.366 55.836 56.048 0.256 0.000 1.231 59 H CB 0.307 30.186 29.762 0.196 0.000 1.389 59 H HN 0.568 nan 8.280 nan 0.000 0.469 60 N N 2.274 120.943 118.700 -0.053 0.000 2.901 60 N HA -0.155 4.585 4.740 -0.001 0.000 0.248 60 N C 1.356 176.934 175.510 0.112 0.000 1.044 60 N CA 1.133 54.174 53.050 -0.014 0.000 0.847 60 N CB -1.241 37.225 38.487 -0.034 0.000 1.127 60 N HN 0.821 nan 8.380 nan 0.000 0.562 61 G N -1.026 107.890 108.800 0.193 0.000 2.432 61 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.219 61 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.219 61 G C 1.169 176.078 174.900 0.014 0.000 1.135 61 G CA 1.269 46.358 45.100 -0.017 0.000 0.767 61 G HN 0.598 nan 8.290 nan 0.000 0.550 62 H N 0.387 119.469 119.070 0.021 0.000 2.352 62 H HA 0.026 4.581 4.556 -0.001 0.000 0.299 62 H C 2.558 177.781 175.328 -0.175 0.000 1.097 62 H CA 1.587 57.619 56.048 -0.026 0.000 1.311 62 H CB 0.083 29.898 29.762 0.088 0.000 1.377 62 H HN 0.327 nan 8.280 nan 0.000 0.504 63 K N -1.595 118.823 120.400 0.031 0.000 2.166 63 K HA -0.044 4.275 4.320 -0.001 0.000 0.201 63 K C 1.409 178.000 176.600 -0.015 0.000 1.052 63 K CA 0.775 57.048 56.287 -0.023 0.000 0.969 63 K CB 0.217 32.732 32.500 0.026 0.000 0.761 63 K HN 0.203 nan 8.250 nan 0.000 0.459 64 Y N 1.502 121.726 120.300 -0.126 0.000 2.610 64 Y HA -0.013 4.537 4.550 -0.001 0.000 0.234 64 Y C 1.261 177.048 175.900 -0.188 0.000 1.050 64 Y CA 0.918 58.932 58.100 -0.144 0.000 1.381 64 Y CB -0.312 38.079 38.460 -0.116 0.000 1.187 64 Y HN -0.072 nan 8.280 nan 0.000 0.495 65 D N 0.337 120.498 120.400 -0.398 0.000 2.160 65 D HA -0.260 4.380 4.640 -0.001 0.000 0.189 65 D C 2.261 178.247 176.300 -0.524 0.000 1.003 65 D CA 2.620 56.276 54.000 -0.572 0.000 0.846 65 D CB -0.704 39.643 40.800 -0.755 0.000 0.949 65 D HN 0.250 nan 8.370 nan 0.000 0.446 66 V N 1.290 120.899 119.914 -0.509 0.000 2.233 66 V HA -0.172 3.948 4.120 -0.001 0.000 0.247 66 V C -0.670 175.290 176.094 -0.223 0.000 1.050 66 V CA 2.138 64.273 62.300 -0.275 0.000 1.010 66 V CB -1.541 30.145 31.823 -0.228 0.000 0.637 66 V HN 0.268 nan 8.190 nan 0.000 0.444 67 P HA -0.145 nan 4.420 nan 0.000 0.218 67 P C 1.580 178.742 177.300 -0.231 0.000 1.149 67 P CA 2.152 65.089 63.100 -0.271 0.000 0.817 67 P CB -0.053 31.466 31.700 -0.302 0.000 0.785 68 A N 0.424 123.034 122.820 -0.351 0.000 1.902 68 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 68 A C 2.462 179.946 177.584 -0.167 0.000 1.181 68 A CA 1.348 53.168 52.037 -0.361 0.000 0.623 68 A CB -1.633 16.911 19.000 -0.759 0.000 0.818 68 A HN 0.119 nan 8.150 nan 0.000 0.443 69 L N -0.773 120.398 121.223 -0.085 0.000 2.079 69 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 69 L C 2.799 179.729 176.870 0.099 0.000 1.081 69 L CA 1.760 56.636 54.840 0.061 0.000 0.752 69 L CB -0.850 41.301 42.059 0.154 0.000 0.896 69 L HN 0.355 nan 8.230 nan 0.000 0.433 70 T N -0.649 113.974 114.554 0.115 0.000 2.708 70 T HA -0.253 4.096 4.350 -0.001 0.000 0.266 70 T C 1.937 176.626 174.700 -0.018 0.000 1.037 70 T CA 1.620 63.734 62.100 0.023 0.000 1.146 70 T CB -0.079 68.729 68.868 -0.099 0.000 0.865 70 T HN 0.253 nan 8.240 nan 0.000 0.435 71 K N 0.556 120.935 120.400 -0.034 0.000 2.057 71 K HA 0.019 4.338 4.320 -0.001 0.000 0.206 71 K C 2.170 178.769 176.600 -0.001 0.000 1.050 71 K CA 1.058 57.326 56.287 -0.031 0.000 0.935 71 K CB -0.204 32.258 32.500 -0.065 0.000 0.715 71 K HN 0.289 nan 8.250 nan 0.000 0.439 72 L N 0.215 121.451 121.223 0.023 0.000 2.156 72 L HA -0.028 4.311 4.340 -0.001 0.000 0.208 72 L C 2.594 179.594 176.870 0.217 0.000 1.095 72 L CA 0.826 55.712 54.840 0.077 0.000 0.770 72 L CB -0.490 41.568 42.059 -0.000 0.000 0.914 72 L HN 0.247 nan 8.230 nan 0.000 0.439 73 A N 0.405 123.321 122.820 0.161 0.000 1.940 73 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 73 A C 2.319 179.902 177.584 -0.000 0.000 1.176 73 A CA 2.082 54.106 52.037 -0.022 0.000 0.631 73 A CB -0.342 18.550 19.000 -0.180 0.000 0.814 73 A HN 0.216 nan 8.150 nan 0.000 0.446 74 K N -0.004 120.406 120.400 0.016 0.000 2.007 74 K HA 0.079 4.399 4.320 -0.001 0.000 0.206 74 K C 1.811 178.426 176.600 0.025 0.000 1.047 74 K CA 1.320 57.617 56.287 0.016 0.000 0.937 74 K CB -0.564 31.947 32.500 0.019 0.000 0.718 74 K HN 0.443 nan 8.250 nan 0.000 0.438 75 L N 0.346 121.588 121.223 0.030 0.000 2.017 75 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 75 L C 2.597 179.490 176.870 0.040 0.000 1.073 75 L CA 1.622 56.477 54.840 0.025 0.000 0.745 75 L CB -0.471 41.595 42.059 0.012 0.000 0.894 75 L HN 0.319 nan 8.230 nan 0.000 0.432 76 Q N -0.442 119.406 119.800 0.079 0.000 2.123 76 Q HA -0.007 4.332 4.340 -0.001 0.000 0.196 76 Q C 1.875 177.927 176.000 0.088 0.000 0.958 76 Q CA 0.990 56.855 55.803 0.104 0.000 0.841 76 Q CB 0.238 29.086 28.738 0.185 0.000 0.915 76 Q HN 0.485 nan 8.270 nan 0.000 0.455 77 L N -0.468 120.792 121.223 0.061 0.000 2.766 77 L HA 0.230 4.569 4.340 -0.001 0.000 0.242 77 L C -0.145 176.713 176.870 -0.020 0.000 1.136 77 L CA -0.310 54.525 54.840 -0.008 0.000 0.933 77 L CB 0.131 42.125 42.059 -0.107 0.000 1.241 77 L HN 0.212 nan 8.230 nan 0.000 0.522 78 N N 1.758 120.457 118.700 -0.002 0.000 2.714 78 N HA -0.228 4.511 4.740 -0.001 0.000 0.253 78 N C -0.007 175.497 175.510 -0.011 0.000 1.024 78 N CA 0.390 53.439 53.050 -0.000 0.000 0.726 78 N CB -0.306 38.182 38.487 0.002 0.000 0.908 78 N HN 0.323 nan 8.380 nan 0.000 0.542 79 R N 0.693 121.178 120.500 -0.024 0.000 2.686 79 R HA 0.279 4.618 4.340 -0.001 0.000 0.286 79 R C -1.084 175.215 176.300 -0.001 0.000 0.969 79 R CA -0.628 55.454 56.100 -0.029 0.000 0.898 79 R CB 1.017 31.263 30.300 -0.091 0.000 1.183 79 R HN 0.089 nan 8.270 nan 0.000 0.456 80 E N 3.541 123.764 120.200 0.039 0.000 2.194 80 E HA 0.166 4.515 4.350 -0.001 0.000 0.284 80 E C -1.240 175.391 176.600 0.053 0.000 1.035 80 E CA -0.088 56.366 56.400 0.090 0.000 0.836 80 E CB 0.905 30.715 29.700 0.183 0.000 1.070 80 E HN 0.334 nan 8.360 nan 0.000 0.401 81 F N 3.947 123.646 119.950 -0.418 0.000 2.536 81 F HA 0.287 4.813 4.527 -0.001 0.000 0.322 81 F C -0.865 174.470 175.800 -0.774 0.000 1.144 81 F CA -0.580 57.175 58.000 -0.408 0.000 0.924 81 F CB 1.046 39.861 39.000 -0.309 0.000 1.181 81 F HN 0.337 nan 8.300 nan 0.000 0.438 82 H N 7.890 126.600 119.070 -0.599 0.000 3.021 82 H HA 0.254 4.809 4.556 -0.001 0.000 0.293 82 H C -0.865 174.185 175.328 -0.464 0.000 1.244 82 H CA -0.558 55.239 56.048 -0.418 0.000 1.596 82 H CB 1.313 30.964 29.762 -0.186 0.000 1.720 82 H HN 0.515 nan 8.280 nan 0.000 0.537 83 L N 4.154 125.097 121.223 -0.467 0.000 2.462 83 L HA 0.136 4.475 4.340 -0.001 0.000 0.272 83 L C -1.862 174.954 176.870 -0.090 0.000 1.166 83 L CA -1.476 53.203 54.840 -0.267 0.000 0.880 83 L CB 0.035 42.031 42.059 -0.105 0.000 1.142 83 L HN 0.187 nan 8.230 nan 0.000 0.473 84 P HA 0.080 nan 4.420 nan 0.000 0.272 84 P C 0.348 177.302 177.300 -0.576 0.000 1.223 84 P CA -0.440 62.479 63.100 -0.303 0.000 0.784 84 P CB 0.644 32.160 31.700 -0.306 0.000 0.923 85 R N 3.230 123.114 120.500 -1.028 0.000 2.097 85 R HA -0.205 4.135 4.340 -0.001 0.000 0.236 85 R C 1.720 177.565 176.300 -0.758 0.000 1.135 85 R CA 2.057 57.140 56.100 -1.694 0.000 0.934 85 R CB -0.607 28.627 30.300 -1.777 0.000 0.846 85 R HN 0.606 nan 8.270 nan 0.000 0.431 86 E N 0.201 120.080 120.200 -0.534 0.000 2.393 86 E HA -0.209 4.140 4.350 -0.001 0.000 0.201 86 E C 0.446 177.029 176.600 -0.028 0.000 1.025 86 E CA 1.602 57.867 56.400 -0.226 0.000 0.856 86 E CB -0.513 29.045 29.700 -0.236 0.000 0.771 86 E HN 0.525 nan 8.360 nan 0.000 0.526 87 N N -0.598 117.966 118.700 -0.228 0.000 2.236 87 N HA 0.105 4.844 4.740 -0.001 0.000 0.196 87 N C -0.749 174.767 175.510 0.011 0.000 1.114 87 N CA -0.060 52.897 53.050 -0.155 0.000 0.859 87 N CB 0.601 38.949 38.487 -0.232 0.000 0.982 87 N HN 0.085 nan 8.380 nan 0.000 0.493 88 C N 0.934 120.309 119.300 0.126 0.000 2.382 88 C HA 0.565 5.025 4.460 -0.001 0.000 0.327 88 C C 0.029 175.327 174.990 0.513 0.000 1.250 88 C CA -1.108 58.107 59.018 0.328 0.000 1.707 88 C CB 0.250 28.245 27.740 0.425 0.000 2.272 88 C HN 0.239 nan 8.230 nan 0.000 0.506 89 I N 2.528 123.328 120.570 0.382 0.000 2.509 89 I HA 0.347 4.517 4.170 -0.001 0.000 0.293 89 I C -0.773 175.627 176.117 0.471 0.000 1.020 89 I CA 0.055 61.542 61.300 0.312 0.000 1.088 89 I CB 1.620 39.556 38.000 -0.107 0.000 1.267 89 I HN 0.577 nan 8.210 nan 0.000 0.430 90 D N 3.906 124.630 120.400 0.541 0.000 2.425 90 D HA 0.158 4.798 4.640 -0.001 0.000 0.240 90 D C 0.968 177.398 176.300 0.216 0.000 1.080 90 D CA -0.289 53.859 54.000 0.248 0.000 0.836 90 D CB 1.917 42.632 40.800 -0.140 0.000 1.125 90 D HN 0.689 nan 8.370 nan 0.000 0.525 91 T N 1.258 115.964 114.554 0.252 0.000 3.035 91 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 91 T C 1.779 176.605 174.700 0.209 0.000 1.109 91 T CA 0.306 62.579 62.100 0.289 0.000 1.119 91 T CB 0.067 69.178 68.868 0.404 0.000 0.900 91 T HN 0.287 nan 8.240 nan 0.000 0.503 92 L N 1.058 122.228 121.223 -0.087 0.000 2.179 92 L HA 0.245 4.584 4.340 -0.001 0.000 0.208 92 L C 2.463 179.288 176.870 -0.075 0.000 1.096 92 L CA 1.035 55.749 54.840 -0.210 0.000 0.779 92 L CB -0.502 41.251 42.059 -0.510 0.000 0.922 92 L HN 0.135 nan 8.230 nan 0.000 0.443 93 V N -0.573 119.265 119.914 -0.126 0.000 2.358 93 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 93 V C 2.514 178.559 176.094 -0.082 0.000 1.047 93 V CA 1.821 64.010 62.300 -0.185 0.000 1.035 93 V CB -0.471 31.051 31.823 -0.502 0.000 0.658 93 V HN 0.392 nan 8.190 nan 0.000 0.452 94 L N -0.310 120.930 121.223 0.028 0.000 2.056 94 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 94 L C 2.743 179.631 176.870 0.031 0.000 1.078 94 L CA 1.865 56.768 54.840 0.106 0.000 0.749 94 L CB -0.400 41.801 42.059 0.237 0.000 0.901 94 L HN 0.408 nan 8.230 nan 0.000 0.433 95 S N -0.220 115.539 115.700 0.098 0.000 2.370 95 S HA -0.204 4.266 4.470 -0.001 0.000 0.226 95 S C 2.003 176.661 174.600 0.097 0.000 1.033 95 S CA 1.292 59.583 58.200 0.152 0.000 1.011 95 S CB -0.105 63.250 63.200 0.257 0.000 0.852 95 S HN 0.354 nan 8.310 nan 0.000 0.457 96 R N -0.008 120.525 120.500 0.054 0.000 2.189 96 R HA 0.038 4.378 4.340 -0.001 0.000 0.218 96 R C 2.143 178.439 176.300 -0.007 0.000 1.074 96 R CA 0.996 57.117 56.100 0.035 0.000 0.991 96 R CB -0.268 30.044 30.300 0.020 0.000 0.883 96 R HN 0.396 nan 8.270 nan 0.000 0.457 97 L N 0.383 121.569 121.223 -0.061 0.000 2.084 97 L HA 0.039 4.378 4.340 -0.001 0.000 0.202 97 L C 1.793 178.523 176.870 -0.233 0.000 1.074 97 L CA 1.580 56.350 54.840 -0.116 0.000 0.757 97 L CB -0.125 41.846 42.059 -0.145 0.000 0.918 97 L HN 0.015 nan 8.230 nan 0.000 0.444 98 I N -0.481 119.858 120.570 -0.386 0.000 2.546 98 I HA -0.149 4.021 4.170 -0.001 0.000 0.255 98 I C 0.728 176.572 176.117 -0.454 0.000 1.163 98 I CA 0.645 61.620 61.300 -0.541 0.000 1.457 98 I CB -0.301 37.304 38.000 -0.659 0.000 1.092 98 I HN 0.308 nan 8.210 nan 0.000 0.434 99 H N 0.083 119.112 119.070 -0.068 0.000 2.505 99 H HA 0.232 4.787 4.556 -0.001 0.000 0.260 99 H C 1.736 177.036 175.328 -0.047 0.000 1.232 99 H CA 0.141 56.157 56.048 -0.052 0.000 0.991 99 H CB 0.330 30.079 29.762 -0.021 0.000 1.729 99 H HN 0.219 nan 8.280 nan 0.000 0.561 100 S N 0.795 116.508 115.700 0.022 0.000 2.419 100 S HA -0.219 4.251 4.470 -0.001 0.000 0.235 100 S C 1.780 176.391 174.600 0.019 0.000 1.019 100 S CA 1.277 59.492 58.200 0.024 0.000 0.982 100 S CB -0.074 63.139 63.200 0.021 0.000 0.789 100 S HN 0.569 nan 8.310 nan 0.000 0.490 101 N N 1.838 120.526 118.700 -0.021 0.000 2.459 101 N HA 0.014 4.753 4.740 -0.001 0.000 0.181 101 N C 0.662 176.138 175.510 -0.056 0.000 1.046 101 N CA 0.389 53.388 53.050 -0.085 0.000 0.904 101 N CB -0.526 37.742 38.487 -0.365 0.000 0.964 101 N HN 0.448 nan 8.380 nan 0.000 0.444 102 L N 0.270 121.484 121.223 -0.016 0.000 2.387 102 L HA 0.349 4.688 4.340 -0.001 0.000 0.266 102 L C 0.626 177.508 176.870 0.021 0.000 1.059 102 L CA -0.789 54.046 54.840 -0.008 0.000 0.801 102 L CB 0.880 42.928 42.059 -0.018 0.000 1.223 102 L HN -0.114 nan 8.230 nan 0.000 0.456 103 K N 0.820 121.233 120.400 0.022 0.000 2.185 103 K HA 0.483 4.802 4.320 -0.001 0.000 0.240 103 K C -1.179 175.457 176.600 0.060 0.000 0.983 103 K CA -0.624 55.688 56.287 0.041 0.000 0.873 103 K CB 1.876 34.400 32.500 0.040 0.000 1.118 103 K HN 0.656 nan 8.250 nan 0.000 0.441 104 D N -2.749 117.696 120.400 0.074 0.000 2.592 104 D HA 0.156 4.796 4.640 -0.001 0.000 0.263 104 D C 0.020 176.374 176.300 0.091 0.000 1.132 104 D CA -0.690 53.368 54.000 0.095 0.000 0.996 104 D CB 0.657 41.520 40.800 0.104 0.000 1.442 104 D HN 0.366 nan 8.370 nan 0.000 0.486 105 T N -3.387 111.220 114.554 0.088 0.000 3.278 105 T HA 0.138 4.487 4.350 -0.001 0.000 0.251 105 T C 0.382 175.126 174.700 0.073 0.000 1.039 105 T CA -0.144 61.999 62.100 0.071 0.000 0.935 105 T CB -0.687 68.197 68.868 0.026 0.000 1.034 105 T HN 0.522 nan 8.240 nan 0.000 0.575 106 D N 1.729 122.179 120.400 0.084 0.000 2.702 106 D HA -0.221 4.418 4.640 -0.001 0.000 0.233 106 D C 0.412 176.748 176.300 0.060 0.000 1.164 106 D CA 0.507 54.561 54.000 0.090 0.000 0.638 106 D CB -1.074 39.821 40.800 0.158 0.000 1.041 106 D HN 0.491 nan 8.370 nan 0.000 0.422 107 M N -2.164 117.464 119.600 0.048 0.000 2.732 107 M HA -0.207 4.272 4.480 -0.001 0.000 0.207 107 M C 1.230 177.518 176.300 -0.021 0.000 0.513 107 M CA 1.611 56.925 55.300 0.022 0.000 0.652 107 M CB -2.235 30.367 32.600 0.003 0.000 2.410 107 M HN 0.904 nan 8.290 nan 0.000 0.660 108 G N -1.055 107.732 108.800 -0.022 0.000 2.176 108 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.232 108 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.232 108 G C 0.657 175.537 174.900 -0.034 0.000 0.986 108 G CA 0.281 45.355 45.100 -0.043 0.000 0.643 108 G HN 0.512 nan 8.290 nan 0.000 0.522 109 L N -0.725 120.489 121.223 -0.015 0.000 2.209 109 L HA 0.259 4.598 4.340 -0.001 0.000 0.207 109 L C 1.202 178.085 176.870 0.022 0.000 1.094 109 L CA 0.567 55.379 54.840 -0.047 0.000 0.790 109 L CB -0.284 41.736 42.059 -0.066 0.000 0.932 109 L HN 0.145 nan 8.230 nan 0.000 0.447 110 L N -0.416 120.859 121.223 0.088 0.000 2.387 110 L HA 0.339 4.678 4.340 -0.001 0.000 0.266 110 L C 0.335 177.247 176.870 0.069 0.000 1.059 110 L CA -0.225 54.682 54.840 0.111 0.000 0.801 110 L CB 0.923 43.064 42.059 0.136 0.000 1.223 110 L HN 0.015 nan 8.230 nan 0.000 0.456 111 R N -0.202 120.342 120.500 0.073 0.000 2.265 111 R HA 0.221 4.560 4.340 -0.001 0.000 0.319 111 R C 1.192 177.543 176.300 0.085 0.000 1.006 111 R CA 0.006 56.145 56.100 0.066 0.000 0.880 111 R CB 1.132 31.466 30.300 0.057 0.000 1.077 111 R HN 0.818 nan 8.270 nan 0.000 0.454 112 S N 2.074 117.842 115.700 0.114 0.000 2.370 112 S HA -0.166 4.303 4.470 -0.001 0.000 0.226 112 S C 2.008 176.670 174.600 0.105 0.000 1.033 112 S CA 1.256 59.552 58.200 0.160 0.000 1.011 112 S CB -0.418 62.983 63.200 0.335 0.000 0.852 112 S HN 0.821 nan 8.310 nan 0.000 0.457 113 G N 1.372 110.223 108.800 0.085 0.000 2.479 113 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.220 113 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.220 113 G C 1.385 176.312 174.900 0.045 0.000 1.115 113 G CA 0.846 45.978 45.100 0.054 0.000 0.757 113 G HN 0.605 nan 8.290 nan 0.000 0.560 114 K N -0.486 119.946 120.400 0.052 0.000 2.393 114 K HA 0.267 4.587 4.320 -0.001 0.000 0.193 114 K C 0.251 176.879 176.600 0.047 0.000 1.026 114 K CA -0.322 55.993 56.287 0.047 0.000 1.064 114 K CB -0.046 32.485 32.500 0.051 0.000 0.833 114 K HN 0.202 nan 8.250 nan 0.000 0.521 115 L N 3.875 125.129 121.223 0.052 0.000 2.290 115 L HA 0.298 4.638 4.340 -0.001 0.000 0.284 115 L C -1.937 174.954 176.870 0.034 0.000 1.078 115 L CA -2.054 52.816 54.840 0.049 0.000 0.815 115 L CB 0.741 42.837 42.059 0.062 0.000 1.162 115 L HN 0.090 nan 8.230 nan 0.000 0.435 116 P HA 0.307 nan 4.420 nan 0.000 0.277 116 P C 0.153 177.460 177.300 0.011 0.000 1.240 116 P CA 0.189 63.301 63.100 0.020 0.000 0.798 116 P CB 1.311 33.025 31.700 0.024 0.000 0.979 125 L N 0.718 121.899 121.223 -0.069 0.000 2.408 125 L HA 0.529 4.868 4.340 -0.001 0.000 0.268 125 L C 0.149 176.976 176.870 -0.071 0.000 0.986 125 L CA -0.846 53.978 54.840 -0.026 0.000 0.820 125 L CB 1.896 43.997 42.059 0.070 0.000 1.303 125 L HN 0.840 nan 8.230 nan 0.000 0.411 126 E N 1.497 121.650 120.200 -0.078 0.000 2.465 126 E HA 0.024 4.373 4.350 -0.001 0.000 0.260 126 E C 0.644 177.210 176.600 -0.056 0.000 0.980 126 E CA 0.527 56.850 56.400 -0.128 0.000 0.927 126 E CB 1.692 31.317 29.700 -0.123 0.000 0.934 126 E HN 0.740 nan 8.360 nan 0.000 0.459 127 A N 5.516 128.226 122.820 -0.183 0.000 1.851 127 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 127 A C 1.953 179.475 177.584 -0.104 0.000 1.195 127 A CA 1.705 53.592 52.037 -0.250 0.000 0.622 127 A CB -1.010 17.662 19.000 -0.548 0.000 0.831 127 A HN 0.893 nan 8.150 nan 0.000 0.444 128 W N -0.563 120.765 121.300 0.046 0.000 2.335 128 W HA -0.072 4.587 4.660 -0.001 0.000 0.311 128 W C 2.553 179.073 176.519 0.002 0.000 1.213 128 W CA 0.579 57.939 57.345 0.025 0.000 1.274 128 W CB -0.536 28.927 29.460 0.006 0.000 1.148 128 W HN 0.437 nan 8.180 nan 0.000 0.498 129 G N -0.908 108.042 108.800 0.251 0.000 2.422 129 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.218 129 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.218 129 G C 1.106 176.100 174.900 0.156 0.000 1.140 129 G CA 0.970 46.167 45.100 0.163 0.000 0.775 129 G HN 0.362 nan 8.290 nan 0.000 0.545 130 Y N 1.296 121.637 120.300 0.068 0.000 2.145 130 Y HA -0.039 4.511 4.550 -0.001 0.000 0.286 130 Y C 2.932 178.872 175.900 0.067 0.000 1.145 130 Y CA 1.603 59.733 58.100 0.049 0.000 1.148 130 Y CB -0.015 38.446 38.460 0.001 0.000 0.981 130 Y HN -0.028 nan 8.280 nan 0.000 0.507 131 R N 0.423 121.032 120.500 0.181 0.000 2.073 131 R HA -0.156 4.184 4.340 -0.001 0.000 0.234 131 R C 2.342 178.670 176.300 0.048 0.000 1.134 131 R CA 1.701 57.883 56.100 0.138 0.000 0.952 131 R CB -1.077 29.377 30.300 0.258 0.000 0.850 131 R HN 0.453 nan 8.270 nan 0.000 0.433 132 L N -0.681 120.572 121.223 0.049 0.000 2.046 132 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 132 L C 2.386 179.270 176.870 0.025 0.000 1.077 132 L CA 1.562 56.418 54.840 0.026 0.000 0.747 132 L CB -0.744 41.251 42.059 -0.107 0.000 0.896 132 L HN 0.308 nan 8.230 nan 0.000 0.432 133 G N -1.165 107.623 108.800 -0.020 0.000 2.598 133 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.215 133 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.215 133 G C 1.325 176.140 174.900 -0.140 0.000 1.131 133 G CA 0.226 45.291 45.100 -0.057 0.000 0.785 133 G HN 0.260 nan 8.290 nan 0.000 0.539 134 E N -0.209 119.873 120.200 -0.197 0.000 2.489 134 E HA 0.131 4.481 4.350 -0.001 0.000 0.204 134 E C 2.135 178.708 176.600 -0.044 0.000 1.006 134 E CA -0.395 55.897 56.400 -0.180 0.000 0.936 134 E CB 0.016 29.528 29.700 -0.314 0.000 1.002 134 E HN 0.330 nan 8.360 nan 0.000 0.488 135 M N 1.233 120.837 119.600 0.006 0.000 2.108 135 M HA -0.171 4.309 4.480 -0.001 0.000 0.261 135 M C 1.439 177.711 176.300 -0.046 0.000 1.066 135 M CA 1.684 57.009 55.300 0.043 0.000 1.107 135 M CB -0.218 32.450 32.600 0.112 0.000 1.356 135 M HN -0.090 nan 8.290 nan 0.000 0.406 136 K N -0.683 119.739 120.400 0.037 0.000 2.148 136 K HA -0.061 4.258 4.320 -0.001 0.000 0.204 136 K C 1.960 178.619 176.600 0.099 0.000 1.050 136 K CA 1.185 57.580 56.287 0.181 0.000 0.942 136 K CB -0.362 32.248 32.500 0.183 0.000 0.724 136 K HN 0.583 nan 8.250 nan 0.000 0.446 137 G N 0.998 109.803 108.800 0.009 0.000 2.426 137 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.214 137 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.214 137 G C 1.139 176.002 174.900 -0.062 0.000 1.156 137 G CA 0.168 45.251 45.100 -0.028 0.000 0.802 137 G HN 0.235 nan 8.290 nan 0.000 0.534 138 E N -0.435 119.744 120.200 -0.035 0.000 2.106 138 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 138 E C 2.057 178.626 176.600 -0.051 0.000 0.984 138 E CA 0.917 57.328 56.400 0.018 0.000 0.806 138 E CB -0.251 29.546 29.700 0.161 0.000 0.750 138 E HN 0.520 nan 8.360 nan 0.000 0.458 139 Y N 2.329 122.344 120.300 -0.474 0.000 2.181 139 Y HA -0.238 4.312 4.550 -0.001 0.000 0.288 139 Y C 2.227 177.906 175.900 -0.368 0.000 1.146 139 Y CA 1.815 59.480 58.100 -0.726 0.000 1.164 139 Y CB -0.120 37.651 38.460 -1.149 0.000 0.982 139 Y HN -0.186 nan 8.280 nan 0.000 0.515 140 K N 0.021 120.092 120.400 -0.549 0.000 2.057 140 K HA -0.200 4.119 4.320 -0.001 0.000 0.207 140 K C 1.629 177.975 176.600 -0.423 0.000 1.049 140 K CA 1.984 57.926 56.287 -0.576 0.000 0.931 140 K CB -0.280 32.026 32.500 -0.324 0.000 0.714 140 K HN 0.328 nan 8.250 nan 0.000 0.440 141 D N 1.224 121.461 120.400 -0.272 0.000 2.097 141 D HA -0.152 4.488 4.640 -0.001 0.000 0.195 141 D C 1.519 177.711 176.300 -0.181 0.000 0.989 141 D CA 1.388 55.268 54.000 -0.199 0.000 0.827 141 D CB -0.442 40.295 40.800 -0.105 0.000 0.966 141 D HN 0.306 nan 8.370 nan 0.000 0.456 142 D N -0.518 119.804 120.400 -0.130 0.000 2.218 142 D HA -0.111 4.529 4.640 -0.001 0.000 0.204 142 D C 1.636 177.850 176.300 -0.144 0.000 0.976 142 D CA 0.357 54.315 54.000 -0.070 0.000 0.853 142 D CB -0.289 40.575 40.800 0.106 0.000 0.939 142 D HN 0.211 nan 8.370 nan 0.000 0.481 143 F N 0.929 120.599 119.950 -0.467 0.000 2.219 143 F HA 0.078 4.605 4.527 -0.001 0.000 0.294 143 F C 2.028 177.590 175.800 -0.396 0.000 1.086 143 F CA 0.740 58.441 58.000 -0.498 0.000 1.330 143 F CB 0.191 38.688 39.000 -0.837 0.000 1.047 143 F HN -0.281 nan 8.300 nan 0.000 0.495 144 K N 0.413 120.667 120.400 -0.244 0.000 2.362 144 K HA -0.183 4.137 4.320 -0.001 0.000 0.200 144 K C 2.284 178.715 176.600 -0.282 0.000 1.046 144 K CA 0.966 57.033 56.287 -0.367 0.000 0.952 144 K CB -0.031 32.127 32.500 -0.572 0.000 0.753 144 K HN 0.302 nan 8.250 nan 0.000 0.466 145 R N 0.193 120.545 120.500 -0.246 0.000 2.052 145 R HA 0.028 4.367 4.340 -0.001 0.000 0.224 145 R C 2.040 178.217 176.300 -0.204 0.000 1.149 145 R CA 1.047 57.035 56.100 -0.188 0.000 0.962 145 R CB -0.191 30.024 30.300 -0.142 0.000 0.856 145 R HN 0.103 nan 8.270 nan 0.000 0.433 146 M N 0.999 120.450 119.600 -0.247 0.000 2.435 146 M HA -0.129 4.350 4.480 -0.001 0.000 0.262 146 M C 1.585 177.709 176.300 -0.295 0.000 1.065 146 M CA 0.910 56.058 55.300 -0.254 0.000 1.076 146 M CB -0.024 32.407 32.600 -0.282 0.000 1.403 146 M HN 0.256 nan 8.290 nan 0.000 0.454 147 L N -0.356 120.652 121.223 -0.359 0.000 2.554 147 L HA -0.041 4.298 4.340 -0.001 0.000 0.226 147 L C 1.647 178.417 176.870 -0.167 0.000 1.137 147 L CA 1.355 56.013 54.840 -0.303 0.000 0.863 147 L CB -0.515 41.348 42.059 -0.326 0.000 0.985 147 L HN 0.394 nan 8.230 nan 0.000 0.451 148 E N -0.653 119.458 120.200 -0.149 0.000 2.290 148 E HA -0.060 4.289 4.350 -0.001 0.000 0.197 148 E C 1.559 178.106 176.600 -0.089 0.000 0.948 148 E CA 0.037 56.378 56.400 -0.099 0.000 0.895 148 E CB 0.342 29.987 29.700 -0.092 0.000 0.865 148 E HN 0.462 nan 8.360 nan 0.000 0.486 149 E N 0.957 121.096 120.200 -0.103 0.000 2.153 149 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 149 E C 1.757 178.311 176.600 -0.077 0.000 0.988 149 E CA 0.784 57.134 56.400 -0.085 0.000 0.811 149 E CB 0.137 29.782 29.700 -0.091 0.000 0.746 149 E HN 0.134 nan 8.360 nan 0.000 0.466 150 Q N -1.170 118.575 119.800 -0.091 0.000 2.408 150 Q HA 0.099 4.439 4.340 -0.001 0.000 0.205 150 Q C 1.527 177.490 176.000 -0.061 0.000 0.919 150 Q CA 0.923 56.680 55.803 -0.077 0.000 0.932 150 Q CB 1.399 30.080 28.738 -0.095 0.000 1.058 150 Q HN 0.414 nan 8.270 nan 0.000 0.517 151 G N 0.594 109.357 108.800 -0.061 0.000 2.284 151 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 151 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 151 G C 0.054 174.932 174.900 -0.037 0.000 1.009 151 G CA 0.069 45.143 45.100 -0.043 0.000 0.625 151 G HN 0.374 nan 8.290 nan 0.000 0.501 152 E N 1.543 121.716 120.200 -0.044 0.000 2.447 152 E HA 0.516 4.866 4.350 -0.001 0.000 0.259 152 E C 0.708 177.300 176.600 -0.014 0.000 1.196 152 E CA 0.488 56.872 56.400 -0.027 0.000 0.995 152 E CB 0.494 30.174 29.700 -0.034 0.000 0.974 152 E HN 0.661 nan 8.360 nan 0.000 0.465 153 E N -0.411 119.796 120.200 0.012 0.000 2.259 153 E HA 0.322 4.672 4.350 -0.001 0.000 0.257 153 E C -1.100 175.552 176.600 0.086 0.000 0.998 153 E CA -0.896 55.527 56.400 0.039 0.000 0.866 153 E CB 1.081 30.799 29.700 0.030 0.000 1.220 153 E HN 0.400 nan 8.360 nan 0.000 0.415 154 Y N 0.512 120.790 120.300 -0.037 0.000 2.409 154 Y HA 0.475 5.024 4.550 -0.001 0.000 0.339 154 Y C -1.132 174.745 175.900 -0.037 0.000 1.033 154 Y CA -0.593 57.482 58.100 -0.041 0.000 1.094 154 Y CB 1.038 39.467 38.460 -0.051 0.000 1.210 154 Y HN 0.206 nan 8.280 nan 0.000 0.456 155 V N 4.974 124.350 119.914 -0.897 0.000 3.001 155 V HA 0.298 4.417 4.120 -0.001 0.000 0.314 155 V C 0.028 175.559 176.094 -0.938 0.000 1.099 155 V CA -0.888 61.026 62.300 -0.643 0.000 0.989 155 V CB 1.751 33.442 31.823 -0.221 0.000 1.040 155 V HN 1.011 nan 8.190 nan 0.000 0.434 156 D N 2.397 122.551 120.400 -0.410 0.000 3.744 156 D HA -0.260 4.379 4.640 -0.001 0.000 0.460 156 D C 1.063 177.141 176.300 -0.370 0.000 0.607 156 D CA 2.398 56.260 54.000 -0.231 0.000 1.004 156 D CB -0.565 40.244 40.800 0.016 0.000 0.300 156 D HN 0.995 nan 8.370 nan 0.000 0.226 157 G N 0.013 108.637 108.800 -0.294 0.000 4.912 157 G HA2 0.411 4.371 3.960 -0.001 0.000 0.307 157 G HA3 0.411 4.371 3.960 -0.001 0.000 0.307 157 G C 1.284 175.713 174.900 -0.784 0.000 1.381 157 G CA 0.392 45.332 45.100 -0.268 0.000 1.057 157 G HN 0.425 nan 8.290 nan 0.000 0.593 158 M N -0.172 118.597 119.600 -1.385 0.000 2.346 158 M HA -0.080 4.400 4.480 -0.001 0.000 0.263 158 M C 1.996 177.553 176.300 -1.238 0.000 1.064 158 M CA 1.816 55.834 55.300 -2.137 0.000 1.083 158 M CB -0.466 31.215 32.600 -1.532 0.000 1.399 158 M HN 0.375 nan 8.290 nan 0.000 0.435 159 E N 0.781 120.274 120.200 -1.178 0.000 2.219 159 E HA -0.231 4.118 4.350 -0.001 0.000 0.198 159 E C 0.941 176.899 176.600 -1.071 0.000 0.998 159 E CA 1.844 57.205 56.400 -1.732 0.000 0.818 159 E CB -0.703 28.034 29.700 -1.605 0.000 0.741 159 E HN 0.873 nan 8.360 nan 0.000 0.477 160 W N -0.979 120.105 121.300 -0.359 0.000 3.220 160 W HA 0.232 4.891 4.660 -0.001 0.000 0.328 160 W C 1.424 178.081 176.519 0.229 0.000 1.205 160 W CA -1.075 56.253 57.345 -0.028 0.000 1.773 160 W CB 0.037 29.526 29.460 0.049 0.000 1.086 160 W HN 0.006 nan 8.180 nan 0.000 0.622 161 W N 1.073 122.465 121.300 0.153 0.000 2.355 161 W HA -0.058 4.601 4.660 -0.001 0.000 0.309 161 W C 0.570 177.193 176.519 0.172 0.000 1.206 161 W CA 0.876 58.316 57.345 0.159 0.000 1.284 161 W CB -1.243 28.262 29.460 0.075 0.000 1.145 161 W HN -0.256 nan 8.180 nan 0.000 0.502 162 N N -1.089 117.758 118.700 0.244 0.000 2.265 162 N HA 0.154 4.893 4.740 -0.001 0.000 0.300 162 N C -1.159 174.223 175.510 -0.213 0.000 1.148 162 N CA -0.759 52.347 53.050 0.093 0.000 0.772 162 N CB 1.992 40.583 38.487 0.173 0.000 1.434 162 N HN -0.237 nan 8.380 nan 0.000 0.481 163 F N 1.908 121.628 119.950 -0.383 0.000 2.444 163 F HA 0.317 4.843 4.527 -0.001 0.000 0.331 163 F C -0.016 175.720 175.800 -0.107 0.000 1.167 163 F CA 0.012 57.801 58.000 -0.351 0.000 1.262 163 F CB 0.482 39.394 39.000 -0.146 0.000 1.196 163 F HN 0.674 nan 8.300 nan 0.000 0.583 164 N N 1.023 118.983 118.700 -1.233 0.000 2.859 164 N HA 0.150 4.890 4.740 -0.001 0.000 0.250 164 N C -0.764 174.130 175.510 -1.027 0.000 1.341 164 N CA -0.734 51.829 53.050 -0.813 0.000 0.881 164 N CB 0.736 39.069 38.487 -0.257 0.000 1.516 164 N HN 0.467 nan 8.380 nan 0.000 0.503 165 E N -0.487 119.398 120.200 -0.525 0.000 2.472 165 E HA -0.114 4.235 4.350 -0.001 0.000 0.200 165 E C 1.312 177.807 176.600 -0.174 0.000 1.046 165 E CA 1.296 57.517 56.400 -0.298 0.000 0.871 165 E CB -0.226 29.411 29.700 -0.104 0.000 0.806 165 E HN 0.828 nan 8.360 nan 0.000 0.533 166 E N 0.993 121.117 120.200 -0.127 0.000 2.112 166 E HA -0.024 4.326 4.350 -0.001 0.000 0.190 166 E C 1.724 178.368 176.600 0.074 0.000 0.979 166 E CA 0.918 57.344 56.400 0.043 0.000 0.814 166 E CB -0.386 29.426 29.700 0.187 0.000 0.762 166 E HN 0.206 nan 8.360 nan 0.000 0.460 167 M N -1.009 118.502 119.600 -0.148 0.000 2.132 167 M HA -0.038 4.442 4.480 -0.001 0.000 0.263 167 M C 2.502 178.724 176.300 -0.130 0.000 1.065 167 M CA 2.167 57.247 55.300 -0.365 0.000 1.122 167 M CB -0.061 32.245 32.600 -0.492 0.000 1.365 167 M HN 0.434 nan 8.290 nan 0.000 0.411 168 M N 0.819 120.346 119.600 -0.122 0.000 2.159 168 M HA -0.214 4.266 4.480 -0.001 0.000 0.263 168 M C 1.199 177.521 176.300 0.037 0.000 1.063 168 M CA 1.923 57.256 55.300 0.054 0.000 1.110 168 M CB -0.428 32.245 32.600 0.122 0.000 1.374 168 M HN 0.220 nan 8.290 nan 0.000 0.411 169 D N -1.012 119.377 120.400 -0.018 0.000 2.117 169 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 169 D C 1.863 178.113 176.300 -0.084 0.000 0.987 169 D CA 1.554 55.511 54.000 -0.073 0.000 0.829 169 D CB -0.500 40.216 40.800 -0.141 0.000 0.961 169 D HN 0.451 nan 8.370 nan 0.000 0.460 170 Y N 1.286 121.553 120.300 -0.055 0.000 2.200 170 Y HA -0.116 4.433 4.550 -0.001 0.000 0.290 170 Y C 2.251 178.147 175.900 -0.007 0.000 1.137 170 Y CA 1.098 59.175 58.100 -0.037 0.000 1.163 170 Y CB -0.500 37.903 38.460 -0.095 0.000 0.988 170 Y HN 0.026 nan 8.280 nan 0.000 0.518 171 N N -0.239 118.552 118.700 0.151 0.000 2.104 171 N HA -0.197 4.542 4.740 -0.001 0.000 0.190 171 N C 1.725 177.314 175.510 0.133 0.000 1.024 171 N CA 1.368 54.500 53.050 0.137 0.000 0.853 171 N CB -0.112 38.450 38.487 0.125 0.000 1.008 171 N HN 0.112 nan 8.380 nan 0.000 0.424 172 V N 1.130 121.097 119.914 0.087 0.000 2.307 172 V HA -0.163 3.956 4.120 -0.001 0.000 0.245 172 V C 2.384 178.485 176.094 0.013 0.000 1.045 172 V CA 1.374 63.706 62.300 0.054 0.000 1.024 172 V CB -0.514 31.289 31.823 -0.033 0.000 0.651 172 V HN 0.380 nan 8.190 nan 0.000 0.449 173 Q N -0.342 119.447 119.800 -0.019 0.000 2.170 173 Q HA -0.210 4.129 4.340 -0.001 0.000 0.203 173 Q C 1.989 178.008 176.000 0.032 0.000 0.976 173 Q CA 1.457 57.243 55.803 -0.029 0.000 0.858 173 Q CB -0.548 28.160 28.738 -0.052 0.000 0.907 173 Q HN 0.625 nan 8.270 nan 0.000 0.433 174 D N -0.277 120.177 120.400 0.090 0.000 2.104 174 D HA -0.119 4.521 4.640 -0.001 0.000 0.194 174 D C 2.050 178.401 176.300 0.085 0.000 0.994 174 D CA 0.971 55.035 54.000 0.106 0.000 0.830 174 D CB -0.091 40.800 40.800 0.152 0.000 0.959 174 D HN 0.044 nan 8.370 nan 0.000 0.452 175 V N 1.123 121.113 119.914 0.127 0.000 2.295 175 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 175 V C 2.738 178.889 176.094 0.094 0.000 1.049 175 V CA 1.750 64.140 62.300 0.150 0.000 1.024 175 V CB -0.792 31.194 31.823 0.273 0.000 0.648 175 V HN 0.201 nan 8.190 nan 0.000 0.447 176 V N -1.192 118.776 119.914 0.090 0.000 2.407 176 V HA -0.169 3.950 4.120 -0.001 0.000 0.248 176 V C 2.164 178.143 176.094 -0.192 0.000 1.055 176 V CA 2.244 64.531 62.300 -0.021 0.000 1.049 176 V CB -0.570 31.177 31.823 -0.127 0.000 0.662 176 V HN 0.291 nan 8.190 nan 0.000 0.455 177 V N 0.915 120.727 119.914 -0.171 0.000 2.453 177 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 177 V C 2.771 178.677 176.094 -0.314 0.000 1.048 177 V CA 2.491 64.609 62.300 -0.303 0.000 1.049 177 V CB -0.822 30.958 31.823 -0.070 0.000 0.672 177 V HN 0.671 nan 8.190 nan 0.000 0.457 178 T N -0.475 113.992 114.554 -0.146 0.000 2.867 178 T HA -0.194 4.155 4.350 -0.001 0.000 0.268 178 T C 1.919 176.552 174.700 -0.111 0.000 1.057 178 T CA 1.577 63.625 62.100 -0.087 0.000 1.136 178 T CB -0.109 68.785 68.868 0.044 0.000 0.874 178 T HN 0.457 nan 8.240 nan 0.000 0.466 179 K N 1.172 121.473 120.400 -0.165 0.000 2.025 179 K HA -0.004 4.315 4.320 -0.001 0.000 0.207 179 K C 2.513 178.981 176.600 -0.220 0.000 1.049 179 K CA 1.197 57.371 56.287 -0.188 0.000 0.933 179 K CB -0.312 31.980 32.500 -0.346 0.000 0.714 179 K HN 0.251 nan 8.250 nan 0.000 0.438 180 A N 1.816 124.393 122.820 -0.405 0.000 1.877 180 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 180 A C 2.164 179.500 177.584 -0.413 0.000 1.186 180 A CA 1.328 53.050 52.037 -0.525 0.000 0.620 180 A CB -0.766 17.572 19.000 -1.102 0.000 0.822 180 A HN 0.440 nan 8.150 nan 0.000 0.443 181 L N -0.848 120.116 121.223 -0.432 0.000 2.042 181 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 181 L C 2.542 179.433 176.870 0.034 0.000 1.076 181 L CA 2.016 56.816 54.840 -0.067 0.000 0.749 181 L CB -0.345 41.731 42.059 0.029 0.000 0.893 181 L HN 0.518 nan 8.230 nan 0.000 0.432 182 L N 0.100 121.325 121.223 0.003 0.000 2.046 182 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 182 L C 2.262 179.131 176.870 -0.002 0.000 1.077 182 L CA 1.866 56.726 54.840 0.033 0.000 0.747 182 L CB -0.495 41.597 42.059 0.054 0.000 0.896 182 L HN 0.231 nan 8.230 nan 0.000 0.432 183 E N -0.626 119.572 120.200 -0.003 0.000 2.106 183 E HA -0.243 4.106 4.350 -0.001 0.000 0.192 183 E C 2.125 178.741 176.600 0.027 0.000 0.984 183 E CA 1.125 57.526 56.400 0.001 0.000 0.806 183 E CB -0.109 29.601 29.700 0.016 0.000 0.750 183 E HN 0.481 nan 8.360 nan 0.000 0.458 184 K N 0.953 121.395 120.400 0.071 0.000 2.057 184 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 184 K C 2.059 178.734 176.600 0.125 0.000 1.050 184 K CA 0.909 57.281 56.287 0.142 0.000 0.935 184 K CB 0.002 32.656 32.500 0.257 0.000 0.715 184 K HN 0.077 nan 8.250 nan 0.000 0.439 185 L N 0.960 122.245 121.223 0.104 0.000 2.056 185 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 185 L C 2.372 179.258 176.870 0.026 0.000 1.078 185 L CA 0.948 55.838 54.840 0.084 0.000 0.749 185 L CB -0.367 41.748 42.059 0.093 0.000 0.901 185 L HN 0.221 nan 8.230 nan 0.000 0.433 186 L N -0.257 120.872 121.223 -0.156 0.000 2.191 186 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 186 L C 2.688 179.509 176.870 -0.082 0.000 1.103 186 L CA 1.297 55.876 54.840 -0.434 0.000 0.769 186 L CB -0.630 41.146 42.059 -0.471 0.000 0.908 186 L HN 0.404 nan 8.230 nan 0.000 0.438 187 S N -1.828 113.887 115.700 0.024 0.000 2.555 187 S HA -0.124 4.345 4.470 -0.001 0.000 0.230 187 S C 0.857 175.536 174.600 0.132 0.000 0.978 187 S CA 0.037 58.287 58.200 0.083 0.000 0.934 187 S CB -0.466 62.783 63.200 0.083 0.000 0.766 187 S HN 0.340 nan 8.310 nan 0.000 0.533 188 D N 1.785 122.296 120.400 0.184 0.000 2.344 188 D HA 0.186 4.825 4.640 -0.001 0.000 0.253 188 D C 0.580 177.018 176.300 0.230 0.000 1.255 188 D CA -0.036 54.092 54.000 0.214 0.000 0.894 188 D CB 0.798 41.758 40.800 0.266 0.000 1.067 188 D HN 0.232 nan 8.370 nan 0.000 0.492 189 K N 1.907 122.397 120.400 0.151 0.000 2.442 189 K HA -0.194 4.125 4.320 -0.001 0.000 0.198 189 K C 1.459 178.068 176.600 0.015 0.000 1.044 189 K CA 0.676 57.023 56.287 0.100 0.000 0.948 189 K CB 0.002 32.551 32.500 0.082 0.000 0.762 189 K HN 0.501 nan 8.250 nan 0.000 0.472 190 H N -1.463 117.544 119.070 -0.105 0.000 2.462 190 H HA -0.069 4.486 4.556 -0.001 0.000 0.292 190 H C 0.809 175.761 175.328 -0.625 0.000 1.049 190 H CA 1.561 57.389 56.048 -0.367 0.000 1.334 190 H CB 0.324 29.754 29.762 -0.553 0.000 1.404 190 H HN 0.223 nan 8.280 nan 0.000 0.544 191 Y N -2.079 118.113 120.300 -0.179 0.000 2.535 191 Y HA 0.230 4.779 4.550 -0.001 0.000 0.266 191 Y C -0.347 174.994 175.900 -0.931 0.000 1.088 191 Y CA -0.314 57.473 58.100 -0.522 0.000 1.285 191 Y CB 0.769 38.887 38.460 -0.571 0.000 1.166 191 Y HN -0.034 nan 8.280 nan 0.000 0.525 192 F N 2.494 122.355 119.950 -0.149 0.000 2.496 192 F HA 0.416 4.942 4.527 -0.001 0.000 0.341 192 F C -2.524 173.255 175.800 -0.036 0.000 1.134 192 F CA -3.417 54.369 58.000 -0.356 0.000 0.968 192 F CB 1.141 39.714 39.000 -0.712 0.000 1.205 192 F HN -0.253 nan 8.300 nan 0.000 0.436 193 P HA 0.000 nan 4.420 nan 0.000 0.264 193 P C -2.068 175.385 177.300 0.255 0.000 1.193 193 P CA -0.975 62.240 63.100 0.190 0.000 0.763 193 P CB 0.872 32.665 31.700 0.156 0.000 0.810 194 P HA -0.117 nan 4.420 nan 0.000 0.228 194 P C 0.536 177.895 177.300 0.099 0.000 1.151 194 P CA 1.291 64.471 63.100 0.134 0.000 0.770 194 P CB 0.186 31.942 31.700 0.094 0.000 0.786 195 E N -0.323 119.923 120.200 0.077 0.000 2.502 195 E HA 0.153 4.502 4.350 -0.001 0.000 0.194 195 E C 0.745 177.344 176.600 -0.003 0.000 1.062 195 E CA 0.222 56.641 56.400 0.032 0.000 0.867 195 E CB -0.320 29.390 29.700 0.017 0.000 0.888 195 E HN 0.404 nan 8.360 nan 0.000 0.510 196 I N 0.698 121.275 120.570 0.011 0.000 2.509 196 I HA 0.198 4.367 4.170 -0.001 0.000 0.293 196 I C -0.495 175.559 176.117 -0.104 0.000 1.020 196 I CA -1.082 60.131 61.300 -0.145 0.000 1.088 196 I CB 1.857 39.605 38.000 -0.419 0.000 1.267 196 I HN -0.200 nan 8.210 nan 0.000 0.430 197 D N 5.634 125.932 120.400 -0.169 0.000 2.441 197 D HA 0.183 4.822 4.640 -0.001 0.000 0.221 197 D C 0.417 176.608 176.300 -0.182 0.000 1.156 197 D CA -0.222 53.718 54.000 -0.101 0.000 0.896 197 D CB 0.477 41.218 40.800 -0.098 0.000 1.028 197 D HN 0.266 nan 8.370 nan 0.000 0.509 198 F N 1.249 121.130 119.950 -0.114 0.000 2.771 198 F HA -0.039 4.488 4.527 -0.001 0.000 0.299 198 F C 2.382 178.113 175.800 -0.115 0.000 1.177 198 F CA 0.697 58.650 58.000 -0.078 0.000 1.450 198 F CB -0.008 38.904 39.000 -0.146 0.000 1.114 198 F HN 0.351 nan 8.300 nan 0.000 0.587 199 T N -4.867 109.596 114.554 -0.152 0.000 3.105 199 T HA 0.099 4.449 4.350 -0.001 0.000 0.253 199 T C 0.508 175.005 174.700 -0.339 0.000 1.047 199 T CA 0.061 61.896 62.100 -0.442 0.000 0.944 199 T CB -0.083 68.164 68.868 -1.036 0.000 1.016 199 T HN 0.097 nan 8.240 nan 0.000 0.544 200 D N 1.301 121.586 120.400 -0.192 0.000 2.908 200 D HA 0.310 4.950 4.640 -0.001 0.000 0.361 200 D C -0.354 175.876 176.300 -0.118 0.000 1.416 200 D CA -0.388 53.533 54.000 -0.133 0.000 0.796 200 D CB 0.822 41.555 40.800 -0.112 0.000 1.185 200 D HN 0.384 nan 8.370 nan 0.000 0.451 201 V N -2.424 117.426 119.914 -0.107 0.000 3.007 201 V HA 0.973 5.092 4.120 -0.001 0.000 0.311 201 V C 0.820 176.882 176.094 -0.053 0.000 1.120 201 V CA -0.808 61.431 62.300 -0.103 0.000 0.980 201 V CB 1.325 33.046 31.823 -0.170 0.000 1.033 201 V HN 0.041 nan 8.190 nan 0.000 0.429 202 G N 0.814 109.580 108.800 -0.056 0.000 2.606 202 G HA2 0.291 4.251 3.960 -0.001 0.000 0.252 202 G HA3 0.291 4.251 3.960 -0.001 0.000 0.252 202 G C 0.229 175.123 174.900 -0.010 0.000 1.206 202 G CA 0.317 45.399 45.100 -0.029 0.000 0.861 202 G HN 1.399 nan 8.290 nan 0.000 0.561 203 Y N -0.647 119.631 120.300 -0.036 0.000 2.165 203 Y HA -0.162 4.387 4.550 -0.001 0.000 0.286 203 Y C 2.600 178.541 175.900 0.069 0.000 1.155 203 Y CA 2.114 60.184 58.100 -0.050 0.000 1.164 203 Y CB -1.053 37.433 38.460 0.043 0.000 0.978 203 Y HN 0.334 nan 8.280 nan 0.000 0.513 204 T N 0.043 114.267 114.554 -0.550 0.000 2.833 204 T HA -0.166 4.184 4.350 -0.001 0.000 0.269 204 T C 1.674 176.372 174.700 -0.003 0.000 1.054 204 T CA 1.980 63.934 62.100 -0.243 0.000 1.135 204 T CB -0.591 68.018 68.868 -0.432 0.000 0.869 204 T HN 0.564 nan 8.240 nan 0.000 0.466 205 T N 1.591 116.111 114.554 -0.058 0.000 2.777 205 T HA 0.000 4.350 4.350 -0.001 0.000 0.266 205 T C 1.525 176.254 174.700 0.048 0.000 1.040 205 T CA 0.790 62.873 62.100 -0.028 0.000 1.141 205 T CB -0.474 68.336 68.868 -0.097 0.000 0.868 205 T HN 0.379 nan 8.240 nan 0.000 0.444 206 F N 0.368 120.253 119.950 -0.108 0.000 2.126 206 F HA -0.106 4.420 4.527 -0.001 0.000 0.299 206 F C 1.770 177.583 175.800 0.023 0.000 1.096 206 F CA 1.151 59.130 58.000 -0.035 0.000 1.255 206 F CB -0.418 38.388 39.000 -0.323 0.000 0.997 206 F HN 0.262 nan 8.300 nan 0.000 0.479 207 W N 0.103 121.655 121.300 0.420 0.000 2.407 207 W HA -0.110 4.550 4.660 -0.001 0.000 0.305 207 W C 2.974 179.576 176.519 0.138 0.000 1.196 207 W CA 1.079 58.588 57.345 0.273 0.000 1.311 207 W CB -0.941 28.672 29.460 0.255 0.000 1.135 207 W HN 0.095 nan 8.180 nan 0.000 0.514 208 S N -0.146 115.751 115.700 0.329 0.000 2.428 208 S HA -0.117 4.353 4.470 -0.001 0.000 0.230 208 S C 1.394 176.078 174.600 0.140 0.000 1.014 208 S CA 1.074 59.393 58.200 0.198 0.000 0.957 208 S CB -0.280 63.001 63.200 0.135 0.000 0.784 208 S HN 0.143 nan 8.310 nan 0.000 0.499 209 E N 1.882 122.169 120.200 0.144 0.000 2.474 209 E HA 0.167 4.516 4.350 -0.001 0.000 0.194 209 E C 0.669 177.388 176.600 0.197 0.000 1.041 209 E CA 0.280 56.770 56.400 0.150 0.000 0.874 209 E CB 0.438 30.197 29.700 0.098 0.000 0.914 209 E HN 0.755 nan 8.360 nan 0.000 0.498 210 S N 0.189 115.945 115.700 0.094 0.000 2.651 210 S HA 0.399 4.868 4.470 -0.001 0.000 0.291 210 S C 0.136 174.654 174.600 -0.137 0.000 1.141 210 S CA -0.959 57.129 58.200 -0.187 0.000 1.027 210 S CB 1.708 64.606 63.200 -0.505 0.000 1.043 210 S HN 0.038 nan 8.310 nan 0.000 0.530 211 L N 2.090 123.161 121.223 -0.253 0.000 2.615 211 L HA 0.067 4.407 4.340 -0.001 0.000 0.284 211 L C 1.872 178.761 176.870 0.032 0.000 1.237 211 L CA 0.613 55.382 54.840 -0.120 0.000 0.905 211 L CB -0.253 41.709 42.059 -0.162 0.000 1.149 211 L HN 1.049 nan 8.230 nan 0.000 0.499 212 E N 3.842 124.105 120.200 0.105 0.000 2.169 212 E HA -0.340 4.009 4.350 -0.001 0.000 0.202 212 E C 1.727 178.464 176.600 0.228 0.000 1.016 212 E CA 1.700 58.221 56.400 0.202 0.000 0.817 212 E CB 0.074 29.945 29.700 0.286 0.000 0.736 212 E HN 0.915 nan 8.360 nan 0.000 0.462 213 A N 0.383 123.331 122.820 0.212 0.000 1.948 213 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 213 A C 2.413 180.138 177.584 0.235 0.000 1.177 213 A CA 1.718 53.895 52.037 0.234 0.000 0.636 213 A CB -0.704 18.452 19.000 0.259 0.000 0.815 213 A HN 0.255 nan 8.150 nan 0.000 0.449 214 V N 0.368 120.417 119.914 0.226 0.000 2.343 214 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 214 V C 2.378 178.772 176.094 0.501 0.000 1.051 214 V CA 2.464 64.965 62.300 0.334 0.000 1.036 214 V CB -0.773 31.174 31.823 0.207 0.000 0.654 214 V HN 0.718 nan 8.190 nan 0.000 0.451 215 D N 0.091 120.720 120.400 0.382 0.000 2.084 215 D HA -0.143 4.497 4.640 -0.001 0.000 0.196 215 D C 2.023 178.379 176.300 0.095 0.000 0.985 215 D CA 1.491 55.601 54.000 0.183 0.000 0.826 215 D CB -0.190 40.691 40.800 0.134 0.000 0.978 215 D HN 0.391 nan 8.370 nan 0.000 0.456 216 I N 0.627 121.287 120.570 0.151 0.000 2.118 216 I HA -0.252 3.918 4.170 -0.001 0.000 0.241 216 I C 2.380 178.570 176.117 0.121 0.000 1.070 216 I CA 1.239 62.616 61.300 0.127 0.000 1.327 216 I CB -0.335 37.791 38.000 0.209 0.000 1.034 216 I HN 0.097 nan 8.210 nan 0.000 0.405 217 E N 0.138 120.437 120.200 0.164 0.000 2.085 217 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 217 E C 2.108 178.736 176.600 0.047 0.000 0.994 217 E CA 1.659 58.123 56.400 0.107 0.000 0.801 217 E CB -0.469 29.286 29.700 0.092 0.000 0.743 217 E HN 0.623 nan 8.360 nan 0.000 0.453 218 H N -0.095 119.030 119.070 0.092 0.000 2.428 218 H HA 0.074 4.629 4.556 -0.001 0.000 0.296 218 H C 2.231 177.634 175.328 0.125 0.000 1.062 218 H CA 1.194 57.304 56.048 0.102 0.000 1.350 218 H CB 0.154 30.007 29.762 0.152 0.000 1.403 218 H HN 0.008 nan 8.280 nan 0.000 0.533 219 R N -0.082 120.472 120.500 0.090 0.000 2.062 219 R HA 0.005 4.344 4.340 -0.001 0.000 0.229 219 R C 2.519 178.850 176.300 0.053 0.000 1.128 219 R CA 0.942 57.050 56.100 0.014 0.000 0.960 219 R CB -0.209 30.031 30.300 -0.100 0.000 0.855 219 R HN 0.273 nan 8.270 nan 0.000 0.432 220 A N 1.402 124.232 122.820 0.017 0.000 1.892 220 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 220 A C 2.380 179.984 177.584 0.033 0.000 1.188 220 A CA 1.968 53.988 52.037 -0.028 0.000 0.631 220 A CB -0.854 18.143 19.000 -0.005 0.000 0.822 220 A HN 0.422 nan 8.150 nan 0.000 0.447 221 A N -1.620 121.256 122.820 0.093 0.000 1.933 221 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 221 A C 2.112 179.835 177.584 0.231 0.000 1.175 221 A CA 1.384 53.496 52.037 0.126 0.000 0.628 221 A CB -0.850 18.175 19.000 0.041 0.000 0.814 221 A HN 0.851 nan 8.150 nan 0.000 0.444 222 W N 0.300 121.685 121.300 0.141 0.000 2.354 222 W HA -0.181 4.478 4.660 -0.001 0.000 0.315 222 W C 1.823 178.272 176.519 -0.116 0.000 1.206 222 W CA 1.865 59.216 57.345 0.009 0.000 1.290 222 W CB -0.433 28.989 29.460 -0.064 0.000 1.152 222 W HN 0.367 nan 8.180 nan 0.000 0.489 223 L N 1.279 122.545 121.223 0.071 0.000 2.046 223 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 223 L C 2.395 179.139 176.870 -0.210 0.000 1.077 223 L CA 1.943 56.696 54.840 -0.144 0.000 0.747 223 L CB -1.174 40.747 42.059 -0.230 0.000 0.896 223 L HN -0.049 nan 8.230 nan 0.000 0.432 224 L N -0.735 120.419 121.223 -0.114 0.000 2.141 224 L HA -0.100 4.240 4.340 -0.001 0.000 0.209 224 L C 2.655 179.486 176.870 -0.064 0.000 1.094 224 L CA 0.914 55.725 54.840 -0.048 0.000 0.763 224 L CB -0.872 41.217 42.059 0.051 0.000 0.908 224 L HN 0.369 nan 8.230 nan 0.000 0.437 225 A N 0.431 123.183 122.820 -0.112 0.000 1.902 225 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 225 A C 2.300 179.763 177.584 -0.203 0.000 1.181 225 A CA 2.019 53.969 52.037 -0.145 0.000 0.623 225 A CB -0.379 18.490 19.000 -0.219 0.000 0.818 225 A HN 0.260 nan 8.150 nan 0.000 0.443 226 K N 0.309 120.522 120.400 -0.312 0.000 2.032 226 K HA -0.219 4.101 4.320 -0.001 0.000 0.209 226 K C 2.198 178.645 176.600 -0.255 0.000 1.048 226 K CA 2.206 58.269 56.287 -0.373 0.000 0.927 226 K CB -0.539 31.630 32.500 -0.553 0.000 0.712 226 K HN 0.601 nan 8.250 nan 0.000 0.441 227 Q N 0.406 120.104 119.800 -0.170 0.000 2.061 227 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 227 Q C 1.854 177.863 176.000 0.015 0.000 0.984 227 Q CA 2.049 57.828 55.803 -0.039 0.000 0.846 227 Q CB -0.135 28.633 28.738 0.052 0.000 0.902 227 Q HN 0.522 nan 8.270 nan 0.000 0.421 228 E N 0.020 120.240 120.200 0.033 0.000 2.058 228 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 228 E C 2.211 178.940 176.600 0.214 0.000 0.997 228 E CA 1.310 57.778 56.400 0.114 0.000 0.801 228 E CB -0.042 29.708 29.700 0.084 0.000 0.746 228 E HN 0.338 nan 8.360 nan 0.000 0.450 229 R N 0.540 121.098 120.500 0.098 0.000 2.105 229 R HA -0.125 4.214 4.340 -0.001 0.000 0.239 229 R C 2.117 178.582 176.300 0.275 0.000 1.135 229 R CA 1.309 57.487 56.100 0.130 0.000 0.967 229 R CB -0.194 30.079 30.300 -0.045 0.000 0.861 229 R HN 0.164 nan 8.270 nan 0.000 0.442 230 N N -0.183 118.592 118.700 0.125 0.000 2.058 230 N HA -0.068 4.671 4.740 -0.001 0.000 0.191 230 N C 1.041 176.735 175.510 0.305 0.000 1.037 230 N CA 1.494 54.658 53.050 0.191 0.000 0.848 230 N CB -0.450 37.943 38.487 -0.157 0.000 1.021 230 N HN 0.350 nan 8.380 nan 0.000 0.422 231 G N 0.048 108.872 108.800 0.040 0.000 2.814 231 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.677 231 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.677 231 G C -1.155 173.761 174.900 0.027 0.000 1.429 231 G CA -0.562 44.374 45.100 -0.273 0.000 0.868 231 G HN 0.201 nan 8.290 nan 0.000 0.553 232 F N 2.160 122.081 119.950 -0.047 0.000 2.388 232 F HA 0.597 5.123 4.527 -0.001 0.000 0.358 232 F C -1.797 174.044 175.800 0.068 0.000 1.122 232 F CA -2.747 55.309 58.000 0.093 0.000 1.056 232 F CB 1.799 40.923 39.000 0.207 0.000 1.155 232 F HN 0.209 nan 8.300 nan 0.000 0.461 233 P HA -0.052 nan 4.420 nan 0.000 0.260 233 P C -1.083 176.395 177.300 0.298 0.000 1.185 233 P CA 0.641 63.875 63.100 0.224 0.000 0.763 233 P CB -0.019 31.777 31.700 0.159 0.000 0.776 234 F N 3.409 123.301 119.950 -0.097 0.000 2.482 234 F HA 0.302 4.828 4.527 -0.001 0.000 0.331 234 F C 0.298 175.861 175.800 -0.395 0.000 1.115 234 F CA -1.032 56.751 58.000 -0.363 0.000 0.955 234 F CB 1.292 40.055 39.000 -0.394 0.000 1.136 234 F HN 0.112 nan 8.300 nan 0.000 0.452 235 D N 4.247 123.922 120.400 -1.208 0.000 2.619 235 D HA 0.099 4.739 4.640 -0.001 0.000 0.224 235 D C 1.118 176.861 176.300 -0.928 0.000 1.133 235 D CA 0.242 53.589 54.000 -1.088 0.000 1.017 235 D CB 0.449 40.430 40.800 -1.365 0.000 1.077 235 D HN 0.674 nan 8.370 nan 0.000 0.503 236 T N 1.460 115.690 114.554 -0.540 0.000 2.653 236 T HA -0.227 4.122 4.350 -0.001 0.000 0.268 236 T C 1.773 176.376 174.700 -0.163 0.000 1.035 236 T CA 0.963 62.947 62.100 -0.194 0.000 1.154 236 T CB 0.069 68.967 68.868 0.049 0.000 0.862 236 T HN 0.227 nan 8.240 nan 0.000 0.441 237 K N 1.467 121.771 120.400 -0.160 0.000 2.020 237 K HA -0.029 4.290 4.320 -0.001 0.000 0.212 237 K C 2.562 179.099 176.600 -0.106 0.000 1.050 237 K CA 1.860 58.088 56.287 -0.098 0.000 0.929 237 K CB -0.988 31.460 32.500 -0.087 0.000 0.714 237 K HN 0.356 nan 8.250 nan 0.000 0.443 238 A N 1.566 124.276 122.820 -0.183 0.000 1.865 238 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 238 A C 2.150 179.679 177.584 -0.091 0.000 1.191 238 A CA 1.747 53.701 52.037 -0.140 0.000 0.623 238 A CB -0.551 18.333 19.000 -0.194 0.000 0.826 238 A HN 0.298 nan 8.150 nan 0.000 0.444 239 I N -0.087 120.389 120.570 -0.156 0.000 2.454 239 I HA -0.187 3.983 4.170 -0.001 0.000 0.254 239 I C 2.272 178.443 176.117 0.090 0.000 1.156 239 I CA 1.602 62.906 61.300 0.007 0.000 1.433 239 I CB -1.480 36.567 38.000 0.077 0.000 1.082 239 I HN 0.514 nan 8.210 nan 0.000 0.432 240 E N 0.956 121.190 120.200 0.057 0.000 2.072 240 E HA -0.204 4.146 4.350 -0.001 0.000 0.191 240 E C 1.981 178.642 176.600 0.102 0.000 0.985 240 E CA 1.132 57.600 56.400 0.113 0.000 0.801 240 E CB 0.147 29.888 29.700 0.069 0.000 0.750 240 E HN 0.514 nan 8.360 nan 0.000 0.452 241 E N 0.013 120.241 120.200 0.046 0.000 2.216 241 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 241 E C 2.022 178.646 176.600 0.041 0.000 0.988 241 E CA 0.350 56.768 56.400 0.030 0.000 0.834 241 E CB 0.041 29.749 29.700 0.012 0.000 0.772 241 E HN 0.188 nan 8.360 nan 0.000 0.479 242 L N 0.495 121.755 121.223 0.063 0.000 2.109 242 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 242 L C 2.226 179.141 176.870 0.074 0.000 1.086 242 L CA 1.443 56.318 54.840 0.058 0.000 0.760 242 L CB -0.459 41.643 42.059 0.073 0.000 0.910 242 L HN 0.079 nan 8.230 nan 0.000 0.437 243 Y N -0.435 119.842 120.300 -0.038 0.000 2.181 243 Y HA -0.173 4.376 4.550 -0.001 0.000 0.288 243 Y C 2.313 178.181 175.900 -0.053 0.000 1.146 243 Y CA 1.719 59.787 58.100 -0.054 0.000 1.164 243 Y CB -0.763 37.682 38.460 -0.025 0.000 0.982 243 Y HN 0.033 nan 8.280 nan 0.000 0.515 244 V N 0.714 120.567 119.914 -0.101 0.000 2.343 244 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 244 V C 2.450 178.469 176.094 -0.125 0.000 1.051 244 V CA 2.258 64.445 62.300 -0.190 0.000 1.036 244 V CB -0.649 31.114 31.823 -0.099 0.000 0.654 244 V HN 0.450 nan 8.190 nan 0.000 0.451 245 E N 0.112 120.277 120.200 -0.058 0.000 2.047 245 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 245 E C 2.243 178.807 176.600 -0.060 0.000 0.987 245 E CA 1.369 57.749 56.400 -0.033 0.000 0.799 245 E CB -0.116 29.591 29.700 0.011 0.000 0.752 245 E HN 0.572 nan 8.360 nan 0.000 0.449 246 L N 0.479 121.643 121.223 -0.098 0.000 2.083 246 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 246 L C 2.718 179.530 176.870 -0.098 0.000 1.083 246 L CA 1.022 55.783 54.840 -0.133 0.000 0.752 246 L CB -0.482 41.476 42.059 -0.168 0.000 0.899 246 L HN 0.202 nan 8.230 nan 0.000 0.433 247 A N 0.159 122.902 122.820 -0.129 0.000 1.902 247 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 247 A C 2.553 180.078 177.584 -0.098 0.000 1.181 247 A CA 1.751 53.694 52.037 -0.157 0.000 0.623 247 A CB -0.687 18.095 19.000 -0.363 0.000 0.818 247 A HN 0.393 nan 8.150 nan 0.000 0.443 248 A N -0.324 122.442 122.820 -0.090 0.000 1.902 248 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 248 A C 2.184 179.762 177.584 -0.010 0.000 1.181 248 A CA 2.101 54.111 52.037 -0.045 0.000 0.623 248 A CB -0.433 18.544 19.000 -0.038 0.000 0.818 248 A HN 0.425 nan 8.150 nan 0.000 0.443 249 R N 0.182 120.677 120.500 -0.008 0.000 2.120 249 R HA -0.075 4.264 4.340 -0.001 0.000 0.234 249 R C 2.216 178.539 176.300 0.038 0.000 1.123 249 R CA 1.881 57.995 56.100 0.023 0.000 0.975 249 R CB -0.615 29.703 30.300 0.031 0.000 0.866 249 R HN 0.597 nan 8.270 nan 0.000 0.446 250 R N -0.620 119.882 120.500 0.004 0.000 2.075 250 R HA -0.006 4.334 4.340 -0.001 0.000 0.232 250 R C 1.962 178.338 176.300 0.127 0.000 1.126 250 R CA 1.697 57.818 56.100 0.034 0.000 0.963 250 R CB -0.275 29.984 30.300 -0.069 0.000 0.858 250 R HN 0.180 nan 8.270 nan 0.000 0.435 251 S N 0.677 116.417 115.700 0.067 0.000 2.359 251 S HA -0.178 4.291 4.470 -0.001 0.000 0.224 251 S C 1.635 176.284 174.600 0.080 0.000 1.035 251 S CA 1.654 59.895 58.200 0.069 0.000 1.018 251 S CB -0.264 62.952 63.200 0.026 0.000 0.876 251 S HN 0.384 nan 8.310 nan 0.000 0.448 252 E N 1.433 121.676 120.200 0.070 0.000 2.077 252 E HA -0.049 4.300 4.350 -0.001 0.000 0.193 252 E C 1.864 178.521 176.600 0.095 0.000 0.989 252 E CA 1.133 57.574 56.400 0.069 0.000 0.800 252 E CB -0.445 29.288 29.700 0.055 0.000 0.746 252 E HN 0.487 nan 8.360 nan 0.000 0.452 253 L N -0.197 121.109 121.223 0.138 0.000 2.093 253 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 253 L C 2.428 179.404 176.870 0.176 0.000 1.085 253 L CA 0.656 55.602 54.840 0.176 0.000 0.755 253 L CB -0.422 41.797 42.059 0.267 0.000 0.904 253 L HN 0.215 nan 8.230 nan 0.000 0.435 254 L N -0.003 121.336 121.223 0.192 0.000 2.141 254 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 254 L C 2.704 179.644 176.870 0.117 0.000 1.094 254 L CA 1.552 56.477 54.840 0.141 0.000 0.763 254 L CB -0.538 41.613 42.059 0.153 0.000 0.908 254 L HN 0.119 nan 8.230 nan 0.000 0.437 255 R N -0.416 120.142 120.500 0.097 0.000 2.070 255 R HA -0.171 4.169 4.340 -0.001 0.000 0.233 255 R C 2.296 178.633 176.300 0.062 0.000 1.137 255 R CA 1.771 57.913 56.100 0.070 0.000 0.945 255 R CB -0.124 30.207 30.300 0.053 0.000 0.845 255 R HN 0.343 nan 8.270 nan 0.000 0.430 256 K N 0.298 120.735 120.400 0.061 0.000 2.057 256 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 256 K C 2.203 178.822 176.600 0.031 0.000 1.049 256 K CA 1.364 57.671 56.287 0.034 0.000 0.931 256 K CB -0.142 32.381 32.500 0.037 0.000 0.714 256 K HN 0.235 nan 8.250 nan 0.000 0.440 257 L N 0.887 122.173 121.223 0.105 0.000 2.027 257 L HA -0.162 4.177 4.340 -0.001 0.000 0.206 257 L C 2.662 179.642 176.870 0.184 0.000 1.074 257 L CA 1.707 56.658 54.840 0.184 0.000 0.745 257 L CB -1.034 41.248 42.059 0.372 0.000 0.898 257 L HN 0.381 nan 8.230 nan 0.000 0.433 258 T N -3.419 111.259 114.554 0.207 0.000 3.007 258 T HA -0.184 4.166 4.350 -0.001 0.000 0.270 258 T C 1.628 176.378 174.700 0.082 0.000 1.107 258 T CA 1.062 63.277 62.100 0.191 0.000 1.118 258 T CB -0.124 68.834 68.868 0.149 0.000 0.889 258 T HN 0.376 nan 8.240 nan 0.000 0.506 259 E N 1.238 121.454 120.200 0.025 0.000 2.086 259 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 259 E C 1.970 178.507 176.600 -0.106 0.000 0.975 259 E CA 1.105 57.492 56.400 -0.022 0.000 0.813 259 E CB -0.494 29.194 29.700 -0.019 0.000 0.768 259 E HN 0.463 nan 8.360 nan 0.000 0.457 260 T N 0.418 114.845 114.554 -0.210 0.000 2.777 260 T HA -0.038 4.312 4.350 -0.001 0.000 0.266 260 T C 0.127 174.448 174.700 -0.631 0.000 1.040 260 T CA 0.920 62.738 62.100 -0.471 0.000 1.141 260 T CB -0.175 68.272 68.868 -0.703 0.000 0.868 260 T HN 0.014 nan 8.240 nan 0.000 0.444 261 F N 1.439 121.251 119.950 -0.230 0.000 2.375 261 F HA 0.573 5.099 4.527 -0.001 0.000 0.361 261 F C 0.929 176.675 175.800 -0.090 0.000 1.117 261 F CA -1.700 56.126 58.000 -0.290 0.000 1.037 261 F CB 0.640 39.167 39.000 -0.787 0.000 1.192 261 F HN -0.014 nan 8.300 nan 0.000 0.452 262 G N 1.571 110.462 108.800 0.152 0.000 2.527 262 G HA2 0.379 4.338 3.960 -0.001 0.000 0.248 262 G HA3 0.379 4.338 3.960 -0.001 0.000 0.248 262 G C 0.161 175.253 174.900 0.320 0.000 1.231 262 G CA -0.493 44.718 45.100 0.185 0.000 0.838 262 G HN 0.713 nan 8.290 nan 0.000 0.570 263 S N -0.021 115.812 115.700 0.222 0.000 2.612 263 S HA 0.577 5.047 4.470 -0.001 0.000 0.253 263 S C -0.314 174.479 174.600 0.321 0.000 1.346 263 S CA 0.457 58.708 58.200 0.086 0.000 0.976 263 S CB 0.401 63.506 63.200 -0.158 0.000 0.949 263 S HN 1.465 nan 8.310 nan 0.000 0.584 264 W N -2.730 118.540 121.300 -0.050 0.000 2.982 264 W HA 0.676 5.335 4.660 -0.001 0.000 0.344 264 W C -2.467 174.047 176.519 -0.008 0.000 1.215 264 W CA -1.407 55.971 57.345 0.055 0.000 1.182 264 W CB 0.105 29.588 29.460 0.039 0.000 1.437 264 W HN 0.568 nan 8.180 nan 0.000 0.570 265 Y N 1.744 122.242 120.300 0.330 0.000 2.453 265 Y HA 0.653 5.202 4.550 -0.001 0.000 0.326 265 Y C 0.449 176.511 175.900 0.270 0.000 1.186 265 Y CA -0.710 57.513 58.100 0.205 0.000 1.200 265 Y CB 2.041 40.603 38.460 0.170 0.000 1.247 265 Y HN 0.429 nan 8.280 nan 0.000 0.482 266 Q N 1.591 121.589 119.800 0.330 0.000 2.391 266 Q HA 0.362 4.701 4.340 -0.001 0.000 0.279 266 Q C -2.879 173.236 176.000 0.191 0.000 1.028 266 Q CA -2.367 53.590 55.803 0.258 0.000 0.836 266 Q CB 2.875 31.753 28.738 0.234 0.000 1.414 266 Q HN 0.292 nan 8.270 nan 0.000 0.397 267 P HA 0.134 nan 4.420 nan 0.000 0.269 267 P C -1.241 176.117 177.300 0.098 0.000 1.209 267 P CA 0.041 63.205 63.100 0.107 0.000 0.776 267 P CB 0.524 32.270 31.700 0.076 0.000 0.876 268 K N 1.496 121.947 120.400 0.086 0.000 2.584 268 K HA 0.498 4.818 4.320 -0.001 0.000 0.260 268 K C 0.101 176.737 176.600 0.061 0.000 0.949 268 K CA 0.281 56.612 56.287 0.073 0.000 0.888 268 K CB 0.302 32.851 32.500 0.082 0.000 1.330 268 K HN 0.498 nan 8.250 nan 0.000 0.432 269 G N 1.732 110.557 108.800 0.041 0.000 2.157 269 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.239 269 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.239 269 G C 0.402 175.300 174.900 -0.004 0.000 0.982 269 G CA -0.078 45.038 45.100 0.027 0.000 0.650 269 G HN 1.026 nan 8.290 nan 0.000 0.527 270 G N 0.495 109.291 108.800 -0.007 0.000 2.372 270 G HA2 0.530 4.490 3.960 -0.001 0.000 0.286 270 G HA3 0.530 4.490 3.960 -0.001 0.000 0.286 270 G C 1.076 175.963 174.900 -0.022 0.000 1.153 270 G CA 1.114 46.192 45.100 -0.036 0.000 0.985 270 G HN 1.055 nan 8.290 nan 0.000 0.429 271 T N 0.726 115.257 114.554 -0.040 0.000 2.837 271 T HA 0.083 4.432 4.350 -0.001 0.000 0.248 271 T C 0.863 175.555 174.700 -0.015 0.000 1.033 271 T CA 0.419 62.506 62.100 -0.022 0.000 1.150 271 T CB -0.086 68.766 68.868 -0.028 0.000 0.865 271 T HN 0.522 nan 8.240 nan 0.000 0.425 272 E N 0.923 121.108 120.200 -0.026 0.000 2.369 272 E HA 0.460 4.810 4.350 -0.001 0.000 0.255 272 E C -0.540 176.071 176.600 0.018 0.000 1.172 272 E CA -0.488 55.907 56.400 -0.010 0.000 0.932 272 E CB 0.698 30.386 29.700 -0.020 0.000 1.040 272 E HN 0.380 nan 8.360 nan 0.000 0.454 273 M N 1.923 121.541 119.600 0.029 0.000 2.404 273 M HA 0.326 4.805 4.480 -0.001 0.000 0.338 273 M C -1.180 175.174 176.300 0.089 0.000 1.150 273 M CA -0.747 54.592 55.300 0.065 0.000 1.016 273 M CB 0.805 33.430 32.600 0.041 0.000 1.672 273 M HN 0.469 nan 8.290 nan 0.000 0.448 274 F N 4.359 124.301 119.950 -0.012 0.000 2.456 274 F HA 0.393 4.920 4.527 -0.001 0.000 0.358 274 F C -0.976 174.789 175.800 -0.058 0.000 1.095 274 F CA -0.327 57.648 58.000 -0.042 0.000 1.216 274 F CB 0.383 39.352 39.000 -0.052 0.000 1.125 274 F HN 0.556 nan 8.300 nan 0.000 0.549 275 C N 5.898 124.699 119.300 -0.831 0.000 2.507 275 C HA 0.280 4.739 4.460 -0.001 0.000 0.319 275 C C 0.039 174.562 174.990 -0.779 0.000 1.208 275 C CA -0.951 57.712 59.018 -0.592 0.000 1.619 275 C CB 0.808 28.364 27.740 -0.307 0.000 2.230 275 C HN 0.849 nan 8.230 nan 0.000 0.492 276 H N 2.406 121.162 119.070 -0.524 0.000 3.094 276 H HA 0.004 4.560 4.556 -0.001 0.000 0.320 276 H C -1.553 173.600 175.328 -0.293 0.000 1.000 276 H CA -0.591 55.236 56.048 -0.369 0.000 1.413 276 H CB 0.964 30.613 29.762 -0.188 0.000 1.405 276 H HN 0.441 nan 8.280 nan 0.000 0.586 277 P HA -0.069 nan 4.420 nan 0.000 0.217 277 P C 1.182 178.306 177.300 -0.294 0.000 1.154 277 P CA 1.096 64.088 63.100 -0.181 0.000 0.841 277 P CB 0.307 31.974 31.700 -0.055 0.000 0.788 278 R N -0.239 119.927 120.500 -0.558 0.000 2.147 278 R HA -0.116 4.223 4.340 -0.001 0.000 0.225 278 R C 2.302 178.363 176.300 -0.399 0.000 1.120 278 R CA 2.502 58.294 56.100 -0.514 0.000 0.891 278 R CB -1.939 27.943 30.300 -0.696 0.000 0.822 278 R HN 0.318 nan 8.270 nan 0.000 0.433 279 T N -3.152 111.107 114.554 -0.491 0.000 3.127 279 T HA 0.191 4.540 4.350 -0.001 0.000 0.207 279 T C 1.525 176.136 174.700 -0.148 0.000 0.912 279 T CA 0.792 62.770 62.100 -0.204 0.000 2.256 279 T CB -0.215 68.612 68.868 -0.069 0.000 1.591 279 T HN 0.447 nan 8.240 nan 0.000 0.397 280 G N -0.144 108.605 108.800 -0.085 0.000 4.616 280 G HA2 0.103 4.063 3.960 -0.001 0.000 0.214 280 G HA3 0.103 4.063 3.960 -0.001 0.000 0.214 280 G C -0.037 174.833 174.900 -0.050 0.000 0.653 280 G CA -0.186 44.864 45.100 -0.082 0.000 0.816 280 G HN 0.738 nan 8.290 nan 0.000 0.601 281 K N 1.986 122.389 120.400 0.005 0.000 2.440 281 K HA 0.171 4.490 4.320 -0.001 0.000 0.275 281 K C -2.338 174.244 176.600 -0.029 0.000 1.082 281 K CA -0.758 55.535 56.287 0.011 0.000 1.135 281 K CB 0.333 32.869 32.500 0.060 0.000 0.864 281 K HN 0.000 nan 8.250 nan 0.000 0.479 282 P HA -0.030 nan 4.420 nan 0.000 0.268 282 P C -0.995 176.293 177.300 -0.019 0.000 1.204 282 P CA 0.253 63.324 63.100 -0.047 0.000 0.768 282 P CB 0.466 32.152 31.700 -0.023 0.000 0.842 283 L N 6.408 127.628 121.223 -0.005 0.000 2.426 283 L HA 0.295 4.634 4.340 -0.001 0.000 0.255 283 L C -1.592 175.378 176.870 0.167 0.000 1.080 283 L CA -1.662 53.226 54.840 0.079 0.000 0.960 283 L CB 1.265 43.365 42.059 0.068 0.000 1.326 283 L HN 0.251 nan 8.230 nan 0.000 0.441 284 P HA -0.246 nan 4.420 nan 0.000 0.216 284 P C 1.884 179.264 177.300 0.133 0.000 1.150 284 P CA 1.717 64.881 63.100 0.107 0.000 0.843 284 P CB 0.292 32.031 31.700 0.065 0.000 0.787 285 K N -0.707 119.781 120.400 0.147 0.000 2.074 285 K HA -0.188 4.131 4.320 -0.001 0.000 0.209 285 K C 1.020 177.687 176.600 0.111 0.000 1.048 285 K CA 1.413 57.766 56.287 0.110 0.000 0.926 285 K CB -2.086 30.471 32.500 0.095 0.000 0.713 285 K HN 0.225 nan 8.250 nan 0.000 0.444 286 Y N 1.037 121.371 120.300 0.057 0.000 2.480 286 Y HA 0.179 4.729 4.550 -0.001 0.000 0.338 286 Y C -1.712 174.206 175.900 0.030 0.000 1.220 286 Y CA -2.411 55.710 58.100 0.035 0.000 1.430 286 Y CB 0.408 38.909 38.460 0.069 0.000 1.311 286 Y HN 0.145 nan 8.280 nan 0.000 0.575 287 P HA -0.033 nan 4.420 nan 0.000 0.269 287 P C -0.570 176.787 177.300 0.095 0.000 1.211 287 P CA -0.025 63.119 63.100 0.073 0.000 0.781 287 P CB 0.533 32.254 31.700 0.035 0.000 0.877 288 R N 1.945 122.484 120.500 0.065 0.000 2.543 288 R HA 0.274 4.614 4.340 -0.001 0.000 0.277 288 R C 0.611 176.917 176.300 0.009 0.000 1.074 288 R CA -0.105 56.026 56.100 0.052 0.000 1.076 288 R CB -0.298 30.020 30.300 0.029 0.000 0.993 288 R HN 0.569 nan 8.270 nan 0.000 0.459 289 I N -1.540 119.031 120.570 0.002 0.000 3.449 289 I HA 0.537 4.706 4.170 -0.001 0.000 0.294 289 I C -0.205 175.795 176.117 -0.194 0.000 1.163 289 I CA -1.037 60.208 61.300 -0.091 0.000 1.010 289 I CB 1.790 39.795 38.000 0.009 0.000 1.307 289 I HN 0.040 nan 8.210 nan 0.000 0.518 290 K N 1.864 122.023 120.400 -0.402 0.000 2.668 290 K HA 0.360 4.679 4.320 -0.001 0.000 0.246 290 K C -1.492 174.890 176.600 -0.363 0.000 0.976 290 K CA -0.375 55.642 56.287 -0.450 0.000 0.902 290 K CB 1.830 33.897 32.500 -0.721 0.000 1.172 290 K HN 0.805 nan 8.250 nan 0.000 0.452 291 T N 6.460 120.935 114.554 -0.131 0.000 2.794 291 T HA 0.275 4.624 4.350 -0.001 0.000 0.304 291 T C -2.139 172.565 174.700 0.007 0.000 0.973 291 T CA -1.168 60.920 62.100 -0.019 0.000 0.972 291 T CB 0.749 69.619 68.868 0.002 0.000 0.952 291 T HN 0.323 nan 8.240 nan 0.000 0.509 292 P HA 0.352 nan 4.420 nan 0.000 0.272 292 P C -0.004 177.325 177.300 0.048 0.000 1.230 292 P CA -0.374 62.751 63.100 0.041 0.000 0.788 292 P CB 0.707 32.432 31.700 0.042 0.000 0.949 293 K N 0.154 120.576 120.400 0.036 0.000 2.619 293 K HA 0.446 4.766 4.320 -0.001 0.000 0.201 293 K C -0.281 176.345 176.600 0.042 0.000 1.090 293 K CA -0.181 56.128 56.287 0.037 0.000 1.063 293 K CB -0.035 32.479 32.500 0.024 0.000 0.810 293 K HN 0.338 nan 8.250 nan 0.000 0.506 294 V N 0.438 120.385 119.914 0.055 0.000 2.498 294 V HA 0.841 4.960 4.120 -0.001 0.000 0.283 294 V C -0.021 176.123 176.094 0.084 0.000 1.015 294 V CA -0.358 61.979 62.300 0.061 0.000 0.867 294 V CB 1.080 32.935 31.823 0.055 0.000 1.025 294 V HN 0.983 nan 8.190 nan 0.000 0.441 295 G N 2.639 111.482 108.800 0.071 0.000 2.318 295 G HA2 0.578 4.537 3.960 -0.001 0.000 0.302 295 G HA3 0.578 4.537 3.960 -0.001 0.000 0.302 295 G C -0.610 174.321 174.900 0.052 0.000 1.633 295 G CA 0.228 45.369 45.100 0.068 0.000 0.965 295 G HN 1.181 nan 8.290 nan 0.000 0.698 296 G N -0.719 108.100 108.800 0.031 0.000 2.663 296 G HA2 0.668 4.627 3.960 -0.001 0.000 0.299 296 G HA3 0.668 4.627 3.960 -0.001 0.000 0.299 296 G C 0.619 175.505 174.900 -0.024 0.000 1.372 296 G CA 0.039 45.154 45.100 0.025 0.000 0.781 296 G HN 0.764 nan 8.290 nan 0.000 0.491 297 I N -0.211 120.335 120.570 -0.041 0.000 2.072 297 I HA 0.129 4.298 4.170 -0.001 0.000 0.235 297 I C 0.854 176.770 176.117 -0.335 0.000 1.058 297 I CA 1.307 62.475 61.300 -0.221 0.000 1.320 297 I CB -0.621 37.246 38.000 -0.221 0.000 1.047 297 I HN 0.306 nan 8.210 nan 0.000 0.397 298 F N 0.027 119.979 119.950 0.003 0.000 2.457 298 F HA 0.453 4.979 4.527 -0.001 0.000 0.330 298 F C 0.830 176.633 175.800 0.005 0.000 1.069 298 F CA -0.915 57.086 58.000 0.002 0.000 1.009 298 F CB 0.435 39.436 39.000 0.002 0.000 1.276 298 F HN -0.230 nan 8.300 nan 0.000 0.492 299 K N 0.219 120.747 120.400 0.214 0.000 2.179 299 K HA 0.577 4.896 4.320 -0.001 0.000 0.238 299 K C -0.075 176.589 176.600 0.105 0.000 1.033 299 K CA -0.935 55.422 56.287 0.118 0.000 0.926 299 K CB 0.303 32.853 32.500 0.083 0.000 1.151 299 K HN 0.577 nan 8.250 nan 0.000 0.492 300 K N 2.364 122.803 120.400 0.066 0.000 2.326 300 K HA 0.150 4.469 4.320 -0.001 0.000 0.275 300 K C -2.270 174.350 176.600 0.032 0.000 1.018 300 K CA -1.465 54.849 56.287 0.044 0.000 0.962 300 K CB -0.953 31.566 32.500 0.033 0.000 0.953 300 K HN 0.470 nan 8.250 nan 0.000 0.475 301 P HA 0.118 nan 4.420 nan 0.000 0.265 301 P C 0.167 177.470 177.300 0.006 0.000 1.187 301 P CA 0.498 63.598 63.100 0.001 0.000 0.766 301 P CB 0.904 32.595 31.700 -0.015 0.000 0.820 302 K N 1.967 122.371 120.400 0.005 0.000 2.425 302 K HA 0.135 4.454 4.320 -0.001 0.000 0.201 302 K C 0.851 177.453 176.600 0.002 0.000 1.128 302 K CA 0.321 56.612 56.287 0.007 0.000 1.000 302 K CB 0.066 32.573 32.500 0.012 0.000 0.961 302 K HN 0.494 nan 8.250 nan 0.000 0.555 303 N N -0.446 118.253 118.700 -0.003 0.000 2.563 303 N HA 0.230 4.969 4.740 -0.001 0.000 0.288 303 N C 0.326 175.831 175.510 -0.008 0.000 1.246 303 N CA -0.411 52.636 53.050 -0.005 0.000 0.946 303 N CB 1.630 40.113 38.487 -0.007 0.000 1.213 303 N HN 0.168 nan 8.380 nan 0.000 0.578 304 K N 0.259 120.654 120.400 -0.008 0.000 2.243 304 K HA 0.110 4.429 4.320 -0.001 0.000 0.201 304 K C 1.544 178.135 176.600 -0.014 0.000 1.051 304 K CA 0.697 56.978 56.287 -0.010 0.000 0.970 304 K CB -0.028 32.467 32.500 -0.008 0.000 0.755 304 K HN 0.531 nan 8.250 nan 0.000 0.465 305 A N 1.253 124.063 122.820 -0.016 0.000 1.854 305 A HA -0.156 4.163 4.320 -0.001 0.000 0.214 305 A C 1.996 179.562 177.584 -0.031 0.000 1.192 305 A CA 1.185 53.210 52.037 -0.021 0.000 0.611 305 A CB -0.479 18.510 19.000 -0.019 0.000 0.832 305 A HN 0.404 nan 8.150 nan 0.000 0.442 306 Q N -0.778 119.003 119.800 -0.032 0.000 2.084 306 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 306 Q C 2.250 178.224 176.000 -0.044 0.000 0.978 306 Q CA 1.582 57.358 55.803 -0.046 0.000 0.844 306 Q CB -0.197 28.519 28.738 -0.037 0.000 0.898 306 Q HN 0.546 nan 8.270 nan 0.000 0.426 307 R N 0.669 121.152 120.500 -0.029 0.000 2.200 307 R HA -0.131 4.208 4.340 -0.001 0.000 0.234 307 R C 1.307 177.591 176.300 -0.027 0.000 1.127 307 R CA 1.166 57.252 56.100 -0.024 0.000 0.989 307 R CB 0.162 30.453 30.300 -0.015 0.000 0.869 307 R HN 0.340 nan 8.270 nan 0.000 0.459 308 E N -2.131 118.051 120.200 -0.030 0.000 2.473 308 E HA 0.163 4.513 4.350 -0.001 0.000 0.204 308 E C 0.675 177.252 176.600 -0.037 0.000 0.994 308 E CA 0.406 56.789 56.400 -0.028 0.000 0.945 308 E CB 1.173 30.859 29.700 -0.022 0.000 0.990 308 E HN 0.406 nan 8.360 nan 0.000 0.493 309 G N 2.277 111.046 108.800 -0.051 0.000 2.141 309 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.231 309 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.231 309 G C 0.884 175.748 174.900 -0.059 0.000 0.984 309 G CA 0.367 45.427 45.100 -0.066 0.000 0.660 309 G HN 0.244 nan 8.290 nan 0.000 0.525 310 R N 0.735 121.207 120.500 -0.047 0.000 2.297 310 R HA 0.260 4.599 4.340 -0.001 0.000 0.197 310 R C 0.461 176.736 176.300 -0.041 0.000 0.943 310 R CA 1.009 57.086 56.100 -0.038 0.000 1.038 310 R CB 0.197 30.481 30.300 -0.027 0.000 0.957 310 R HN 0.480 nan 8.270 nan 0.000 0.484 311 E N 0.815 120.983 120.200 -0.054 0.000 2.274 311 E HA 0.306 4.656 4.350 -0.001 0.000 0.269 311 E C -2.665 173.882 176.600 -0.088 0.000 0.891 311 E CA -2.544 53.824 56.400 -0.053 0.000 0.784 311 E CB 1.909 31.589 29.700 -0.034 0.000 1.225 311 E HN -0.063 nan 8.360 nan 0.000 0.412 312 P HA -0.038 nan 4.420 nan 0.000 0.261 312 P C -0.425 176.786 177.300 -0.148 0.000 1.183 312 P CA -0.109 62.875 63.100 -0.193 0.000 0.761 312 P CB 0.293 31.934 31.700 -0.099 0.000 0.785 313 C N 3.031 122.173 119.300 -0.263 0.000 2.745 313 C HA 0.026 4.485 4.460 -0.001 0.000 0.387 313 C C 1.341 176.428 174.990 0.161 0.000 1.312 313 C CA -0.023 58.957 59.018 -0.064 0.000 2.204 313 C CB -0.875 26.823 27.740 -0.069 0.000 2.686 313 C HN 0.557 nan 8.230 nan 0.000 0.705 314 E N 0.878 121.170 120.200 0.153 0.000 2.417 314 E HA 0.186 4.536 4.350 -0.001 0.000 0.261 314 E C -0.431 176.307 176.600 0.230 0.000 1.000 314 E CA 0.157 56.654 56.400 0.162 0.000 0.919 314 E CB 0.237 29.990 29.700 0.088 0.000 0.955 314 E HN 0.390 nan 8.360 nan 0.000 0.455 315 L N 3.569 124.897 121.223 0.176 0.000 2.485 315 L HA 0.027 4.366 4.340 -0.001 0.000 0.275 315 L C 0.353 177.201 176.870 -0.037 0.000 1.207 315 L CA 0.078 54.906 54.840 -0.021 0.000 0.855 315 L CB 0.480 42.463 42.059 -0.127 0.000 1.114 315 L HN 0.590 nan 8.230 nan 0.000 0.485 316 D N 1.590 121.937 120.400 -0.089 0.000 2.352 316 D HA 0.056 4.695 4.640 -0.001 0.000 0.245 316 D C 0.681 176.936 176.300 -0.076 0.000 1.224 316 D CA -0.052 53.917 54.000 -0.052 0.000 0.879 316 D CB 1.134 41.912 40.800 -0.036 0.000 1.057 316 D HN 0.428 nan 8.370 nan 0.000 0.491 317 T N 3.071 117.593 114.554 -0.054 0.000 3.194 317 T HA 0.031 4.381 4.350 -0.001 0.000 0.251 317 T C 2.001 176.658 174.700 -0.071 0.000 1.132 317 T CA 0.731 62.792 62.100 -0.065 0.000 1.028 317 T CB -0.014 68.827 68.868 -0.045 0.000 0.976 317 T HN 0.475 nan 8.240 nan 0.000 0.535 318 R N 1.699 122.165 120.500 -0.057 0.000 2.205 318 R HA -0.125 4.214 4.340 -0.001 0.000 0.221 318 R C 1.750 177.970 176.300 -0.134 0.000 1.101 318 R CA 2.376 58.447 56.100 -0.048 0.000 0.869 318 R CB -0.984 29.315 30.300 -0.003 0.000 0.815 318 R HN 0.597 nan 8.270 nan 0.000 0.434 319 E N -5.766 114.318 120.200 -0.192 0.000 2.208 319 E HA -0.033 4.317 4.350 -0.001 0.000 0.206 319 E C -0.546 175.811 176.600 -0.404 0.000 0.829 319 E CA 0.417 56.586 56.400 -0.384 0.000 2.100 319 E CB -0.684 28.626 29.700 -0.651 0.000 3.628 319 E HN 0.457 nan 8.360 nan 0.000 0.804 320 Y N 1.041 121.268 120.300 -0.122 0.000 2.260 320 Y HA 0.502 5.051 4.550 -0.001 0.000 0.339 320 Y C 0.315 176.185 175.900 -0.050 0.000 1.317 320 Y CA -0.087 57.943 58.100 -0.116 0.000 1.514 320 Y CB 0.822 39.215 38.460 -0.113 0.000 1.382 320 Y HN -0.052 nan 8.280 nan 0.000 0.581 321 V N 1.125 121.143 119.914 0.173 0.000 2.488 321 V HA 0.469 4.589 4.120 -0.001 0.000 0.293 321 V C -0.412 175.749 176.094 0.112 0.000 1.027 321 V CA -1.627 60.734 62.300 0.102 0.000 0.862 321 V CB 1.032 32.891 31.823 0.059 0.000 1.008 321 V HN 0.948 nan 8.190 nan 0.000 0.428 322 A N 3.606 126.481 122.820 0.092 0.000 2.592 322 A HA 0.415 4.735 4.320 -0.001 0.000 0.250 322 A C 1.652 179.278 177.584 0.070 0.000 1.017 322 A CA 1.470 53.553 52.037 0.076 0.000 0.794 322 A CB -0.607 18.428 19.000 0.058 0.000 0.917 322 A HN 2.349 nan 8.150 nan 0.000 0.515 323 G N 1.409 110.252 108.800 0.071 0.000 2.308 323 G HA2 0.153 4.112 3.960 -0.001 0.000 0.221 323 G HA3 0.153 4.112 3.960 -0.001 0.000 0.221 323 G C 0.651 175.601 174.900 0.082 0.000 1.032 323 G CA 0.338 45.476 45.100 0.063 0.000 0.623 323 G HN 2.341 nan 8.290 nan 0.000 0.506 324 A N 3.102 125.988 122.820 0.110 0.000 2.437 324 A HA 0.644 4.963 4.320 -0.001 0.000 0.303 324 A C -1.408 176.297 177.584 0.201 0.000 1.324 324 A CA -0.570 51.549 52.037 0.137 0.000 0.983 324 A CB 0.111 19.190 19.000 0.132 0.000 1.142 324 A HN 0.349 nan 8.150 nan 0.000 0.541 325 P HA 0.316 nan 4.420 nan 0.000 0.276 325 P C -1.204 176.231 177.300 0.225 0.000 1.230 325 P CA 0.345 63.541 63.100 0.161 0.000 0.776 325 P CB 0.528 32.311 31.700 0.138 0.000 0.888 326 Y N -1.226 119.118 120.300 0.073 0.000 2.609 326 Y HA 0.668 5.218 4.550 -0.001 0.000 0.342 326 Y C -0.720 175.210 175.900 0.050 0.000 1.058 326 Y CA -1.310 56.833 58.100 0.072 0.000 1.055 326 Y CB 0.544 39.082 38.460 0.131 0.000 1.292 326 Y HN 0.127 nan 8.280 nan 0.000 0.476 327 T N 5.042 119.637 114.554 0.068 0.000 2.753 327 T HA 0.375 4.724 4.350 -0.001 0.000 0.297 327 T C -2.696 172.070 174.700 0.109 0.000 0.981 327 T CA -1.301 60.786 62.100 -0.021 0.000 0.956 327 T CB 0.703 69.573 68.868 0.003 0.000 0.936 327 T HN 0.449 nan 8.240 nan 0.000 0.463 328 P HA 0.351 nan 4.420 nan 0.000 0.271 328 P C -0.748 176.646 177.300 0.157 0.000 1.216 328 P CA -0.350 62.868 63.100 0.196 0.000 0.776 328 P CB 0.916 32.688 31.700 0.119 0.000 0.881 329 V N -0.379 119.654 119.914 0.199 0.000 3.114 329 V HA 0.677 4.796 4.120 -0.001 0.000 0.308 329 V C -0.614 175.631 176.094 0.251 0.000 1.168 329 V CA -1.182 61.247 62.300 0.215 0.000 1.015 329 V CB 2.157 34.124 31.823 0.241 0.000 1.050 329 V HN 0.702 nan 8.190 nan 0.000 0.433 330 E N 1.938 122.271 120.200 0.221 0.000 2.227 330 E HA 0.457 4.807 4.350 -0.001 0.000 0.268 330 E C -1.149 175.484 176.600 0.055 0.000 0.907 330 E CA -0.772 55.712 56.400 0.140 0.000 0.786 330 E CB 2.130 31.862 29.700 0.053 0.000 1.191 330 E HN 0.970 nan 8.360 nan 0.000 0.411 331 H N 3.134 122.064 119.070 -0.232 0.000 2.640 331 H HA 0.294 4.849 4.556 -0.001 0.000 0.297 331 H C -1.023 174.000 175.328 -0.508 0.000 1.073 331 H CA -0.823 54.825 56.048 -0.667 0.000 1.305 331 H CB 1.474 30.820 29.762 -0.694 0.000 1.404 331 H HN 0.393 nan 8.280 nan 0.000 0.459 332 V N 6.122 125.478 119.914 -0.930 0.000 2.472 332 V HA 0.390 4.510 4.120 -0.001 0.000 0.290 332 V C -0.977 174.397 176.094 -1.200 0.000 1.037 332 V CA -0.458 61.262 62.300 -0.967 0.000 0.908 332 V CB 1.524 32.770 31.823 -0.962 0.000 0.985 332 V HN 0.492 nan 8.190 nan 0.000 0.454 333 V N 7.260 126.715 119.914 -0.765 0.000 2.398 333 V HA 0.349 4.468 4.120 -0.001 0.000 0.286 333 V C 0.049 175.978 176.094 -0.275 0.000 1.026 333 V CA -0.706 61.295 62.300 -0.500 0.000 0.868 333 V CB 1.304 32.952 31.823 -0.291 0.000 0.982 333 V HN 0.903 nan 8.190 nan 0.000 0.443 334 F N 5.529 125.334 119.950 -0.241 0.000 2.500 334 F HA -0.061 4.465 4.527 -0.001 0.000 0.409 334 F C 0.610 176.486 175.800 0.127 0.000 0.982 334 F CA 0.750 58.787 58.000 0.063 0.000 1.163 334 F CB 0.075 39.195 39.000 0.200 0.000 0.942 334 F HN 0.619 nan 8.300 nan 0.000 0.535 335 N N 8.468 127.028 118.700 -0.234 0.000 2.564 335 N HA 0.337 5.076 4.740 -0.001 0.000 0.248 335 N C -2.201 172.801 175.510 -0.846 0.000 0.986 335 N CA -2.386 50.391 53.050 -0.455 0.000 0.921 335 N CB 1.630 39.944 38.487 -0.287 0.000 1.136 335 N HN 0.203 nan 8.380 nan 0.000 0.509 336 P HA -0.049 nan 4.420 nan 0.000 0.220 336 P C 0.645 177.698 177.300 -0.412 0.000 1.144 336 P CA 1.060 63.645 63.100 -0.858 0.000 0.800 336 P CB 0.429 31.369 31.700 -1.268 0.000 0.772 337 S N -1.757 113.788 115.700 -0.258 0.000 2.558 337 S HA 0.038 4.508 4.470 -0.001 0.000 0.217 337 S C 0.963 175.472 174.600 -0.152 0.000 0.975 337 S CA 0.109 58.279 58.200 -0.051 0.000 0.912 337 S CB -0.410 62.822 63.200 0.053 0.000 0.776 337 S HN 0.092 nan 8.310 nan 0.000 0.526 338 S N 1.508 117.027 115.700 -0.301 0.000 2.404 338 S HA 0.287 4.756 4.470 -0.001 0.000 0.309 338 S C 0.999 175.481 174.600 -0.196 0.000 1.076 338 S CA -0.793 57.209 58.200 -0.330 0.000 1.095 338 S CB 0.305 63.062 63.200 -0.738 0.000 0.972 338 S HN 0.301 nan 8.310 nan 0.000 0.484 339 R N 2.763 123.206 120.500 -0.095 0.000 2.241 339 R HA -0.076 4.264 4.340 -0.001 0.000 0.224 339 R C 1.054 177.368 176.300 0.023 0.000 1.101 339 R CA 1.105 57.190 56.100 -0.026 0.000 0.995 339 R CB -0.125 30.173 30.300 -0.004 0.000 0.870 339 R HN 0.591 nan 8.270 nan 0.000 0.463 340 D N 0.042 120.451 120.400 0.015 0.000 2.149 340 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 340 D C 1.661 178.089 176.300 0.214 0.000 0.972 340 D CA 1.166 55.227 54.000 0.101 0.000 0.835 340 D CB 0.067 40.930 40.800 0.104 0.000 0.966 340 D HN 0.415 nan 8.370 nan 0.000 0.476 341 H N -0.298 118.813 119.070 0.068 0.000 2.299 341 H HA 0.001 4.556 4.556 -0.001 0.000 0.302 341 H C 2.400 177.793 175.328 0.108 0.000 1.078 341 H CA 0.692 56.824 56.048 0.141 0.000 1.323 341 H CB 0.216 30.053 29.762 0.126 0.000 1.381 341 H HN 0.096 nan 8.280 nan 0.000 0.498 342 I N 1.096 121.788 120.570 0.203 0.000 2.145 342 I HA -0.360 3.809 4.170 -0.001 0.000 0.244 342 I C 2.836 178.973 176.117 0.032 0.000 1.075 342 I CA 1.413 62.766 61.300 0.089 0.000 1.332 342 I CB -0.372 37.636 38.000 0.014 0.000 1.033 342 I HN 0.405 nan 8.210 nan 0.000 0.410 343 Q N 1.745 121.609 119.800 0.106 0.000 2.124 343 Q HA -0.257 4.082 4.340 -0.001 0.000 0.202 343 Q C 2.118 178.204 176.000 0.143 0.000 0.977 343 Q CA 1.777 57.709 55.803 0.216 0.000 0.850 343 Q CB -0.087 28.774 28.738 0.206 0.000 0.901 343 Q HN 0.483 nan 8.270 nan 0.000 0.429 344 K N -0.066 120.357 120.400 0.039 0.000 2.001 344 K HA -0.123 4.196 4.320 -0.001 0.000 0.208 344 K C 2.204 178.723 176.600 -0.134 0.000 1.048 344 K CA 1.168 57.409 56.287 -0.077 0.000 0.932 344 K CB 0.097 32.476 32.500 -0.202 0.000 0.715 344 K HN -0.009 nan 8.250 nan 0.000 0.437 345 K N 0.939 121.208 120.400 -0.217 0.000 2.032 345 K HA -0.129 4.190 4.320 -0.001 0.000 0.209 345 K C 2.140 178.670 176.600 -0.116 0.000 1.048 345 K CA 1.226 57.334 56.287 -0.299 0.000 0.927 345 K CB -0.467 31.544 32.500 -0.816 0.000 0.712 345 K HN 0.257 nan 8.250 nan 0.000 0.441 346 L N 1.093 122.281 121.223 -0.059 0.000 2.131 346 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 346 L C 2.556 179.589 176.870 0.271 0.000 1.092 346 L CA 1.156 56.055 54.840 0.098 0.000 0.759 346 L CB -0.400 41.669 42.059 0.017 0.000 0.903 346 L HN 0.278 nan 8.230 nan 0.000 0.435 347 Q N 0.099 120.045 119.800 0.243 0.000 2.123 347 Q HA -0.159 4.181 4.340 -0.001 0.000 0.199 347 Q C 1.579 177.624 176.000 0.076 0.000 0.966 347 Q CA 1.005 56.903 55.803 0.158 0.000 0.845 347 Q CB 0.006 28.775 28.738 0.052 0.000 0.907 347 Q HN 0.572 nan 8.270 nan 0.000 0.439 348 E N 0.071 120.290 120.200 0.032 0.000 2.533 348 E HA -0.036 4.313 4.350 -0.001 0.000 0.201 348 E C 0.730 177.354 176.600 0.040 0.000 1.097 348 E CA 0.341 56.744 56.400 0.006 0.000 0.887 348 E CB 0.180 29.854 29.700 -0.044 0.000 0.855 348 E HN 0.219 nan 8.360 nan 0.000 0.540 349 A N -0.165 122.704 122.820 0.082 0.000 2.571 349 A HA 0.480 4.799 4.320 -0.001 0.000 0.274 349 A C 1.380 179.024 177.584 0.100 0.000 1.196 349 A CA 0.295 52.386 52.037 0.091 0.000 0.957 349 A CB 0.390 19.462 19.000 0.121 0.000 1.150 349 A HN 0.250 nan 8.150 nan 0.000 0.539 350 G N -1.726 107.135 108.800 0.101 0.000 2.176 350 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.232 350 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.232 350 G C -0.022 174.968 174.900 0.150 0.000 0.986 350 G CA 0.008 45.165 45.100 0.095 0.000 0.643 350 G HN 0.906 nan 8.290 nan 0.000 0.522 351 W N 1.672 122.971 121.300 -0.001 0.000 2.251 351 W HA 0.506 5.165 4.660 -0.001 0.000 0.327 351 W C -0.136 176.383 176.519 -0.001 0.000 1.361 351 W CA -0.387 56.956 57.345 -0.003 0.000 1.234 351 W CB 0.798 30.251 29.460 -0.012 0.000 1.212 351 W HN 0.304 nan 8.180 nan 0.000 0.557 352 V N 9.742 129.371 119.914 -0.474 0.000 2.325 352 V HA 0.226 4.345 4.120 -0.001 0.000 0.280 352 V C -1.828 173.761 176.094 -0.841 0.000 1.016 352 V CA -1.933 60.038 62.300 -0.550 0.000 0.818 352 V CB 1.090 32.797 31.823 -0.193 0.000 1.019 352 V HN 0.452 nan 8.190 nan 0.000 0.434 353 P HA 0.180 nan 4.420 nan 0.000 0.269 353 P C 0.637 177.740 177.300 -0.328 0.000 1.209 353 P CA 0.171 62.693 63.100 -0.962 0.000 0.776 353 P CB 0.533 31.515 31.700 -1.196 0.000 0.876 354 T N -1.572 112.887 114.554 -0.159 0.000 3.231 354 T HA 0.322 4.671 4.350 -0.001 0.000 0.292 354 T C 0.077 174.792 174.700 0.025 0.000 1.001 354 T CA -0.383 61.720 62.100 0.005 0.000 0.920 354 T CB -0.248 68.642 68.868 0.036 0.000 1.140 354 T HN 0.224 nan 8.240 nan 0.000 0.525 355 K N 1.038 121.368 120.400 -0.117 0.000 2.652 355 K HA 0.493 4.813 4.320 -0.001 0.000 0.249 355 K C -1.810 174.651 176.600 -0.232 0.000 0.986 355 K CA -0.549 55.706 56.287 -0.054 0.000 0.867 355 K CB 1.693 34.190 32.500 -0.005 0.000 1.201 355 K HN 0.122 nan 8.250 nan 0.000 0.450 356 Y N -0.115 120.191 120.300 0.010 0.000 2.654 356 Y HA 0.410 4.959 4.550 -0.001 0.000 0.327 356 Y C 1.218 177.129 175.900 0.018 0.000 1.122 356 Y CA -0.662 57.443 58.100 0.008 0.000 1.227 356 Y CB 1.402 39.853 38.460 -0.015 0.000 1.370 356 Y HN 0.533 nan 8.280 nan 0.000 0.528 357 T N -3.547 111.120 114.554 0.188 0.000 2.922 357 T HA 0.257 4.606 4.350 -0.001 0.000 0.281 357 T C 0.234 174.992 174.700 0.096 0.000 1.005 357 T CA -0.580 61.587 62.100 0.111 0.000 0.982 357 T CB 0.982 69.900 68.868 0.083 0.000 1.158 357 T HN 0.474 nan 8.240 nan 0.000 0.566 358 D N 0.219 120.658 120.400 0.066 0.000 2.149 358 D HA -0.086 4.553 4.640 -0.001 0.000 0.194 358 D C 1.404 177.730 176.300 0.044 0.000 1.001 358 D CA 1.437 55.466 54.000 0.048 0.000 0.849 358 D CB -0.094 40.731 40.800 0.041 0.000 0.939 358 D HN 0.576 nan 8.370 nan 0.000 0.449 359 K N -0.450 119.981 120.400 0.051 0.000 2.551 359 K HA 0.253 4.573 4.320 -0.001 0.000 0.204 359 K C 0.983 177.615 176.600 0.052 0.000 1.033 359 K CA 0.393 56.706 56.287 0.043 0.000 1.187 359 K CB 0.562 33.087 32.500 0.042 0.000 0.900 359 K HN 0.197 nan 8.250 nan 0.000 0.499 360 G N 1.245 110.085 108.800 0.067 0.000 2.184 360 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.264 360 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.264 360 G C 0.276 175.301 174.900 0.208 0.000 0.975 360 G CA 0.290 45.435 45.100 0.076 0.000 0.642 360 G HN 0.505 nan 8.290 nan 0.000 0.536 361 A N 1.462 124.392 122.820 0.183 0.000 2.409 361 A HA 0.653 4.972 4.320 -0.001 0.000 0.262 361 A C -1.306 176.383 177.584 0.175 0.000 1.113 361 A CA -0.796 51.349 52.037 0.179 0.000 0.790 361 A CB 0.516 19.576 19.000 0.100 0.000 1.046 361 A HN 0.264 nan 8.150 nan 0.000 0.496 362 P HA 0.114 nan 4.420 nan 0.000 0.271 362 P C -0.176 177.068 177.300 -0.094 0.000 1.226 362 P CA 0.097 62.986 63.100 -0.353 0.000 0.765 362 P CB 0.687 32.156 31.700 -0.384 0.000 0.835 363 V N 4.990 124.842 119.914 -0.104 0.000 2.599 363 V HA -0.033 4.087 4.120 -0.001 0.000 0.300 363 V C 0.902 177.043 176.094 0.079 0.000 1.034 363 V CA 0.646 62.952 62.300 0.010 0.000 1.115 363 V CB 0.761 32.589 31.823 0.009 0.000 0.934 363 V HN 0.316 nan 8.190 nan 0.000 0.485 364 V N 4.918 124.864 119.914 0.055 0.000 2.467 364 V HA 0.338 4.457 4.120 -0.001 0.000 0.260 364 V C -0.579 175.516 176.094 0.002 0.000 0.963 364 V CA -0.827 61.491 62.300 0.030 0.000 0.856 364 V CB 0.838 32.680 31.823 0.032 0.000 1.087 364 V HN 1.047 nan 8.190 nan 0.000 0.467 365 D N -0.332 120.068 120.400 0.000 0.000 2.525 365 D HA 0.396 5.036 4.640 -0.001 0.000 0.249 365 D C 0.554 176.846 176.300 -0.013 0.000 1.072 365 D CA -0.819 53.181 54.000 0.001 0.000 1.067 365 D CB 1.076 41.883 40.800 0.012 0.000 1.282 365 D HN 0.041 nan 8.370 nan 0.000 0.587 366 D N -0.787 119.612 120.400 -0.003 0.000 2.149 366 D HA -0.157 4.482 4.640 -0.001 0.000 0.198 366 D C 1.556 177.849 176.300 -0.012 0.000 0.990 366 D CA 1.341 55.337 54.000 -0.006 0.000 0.839 366 D CB 0.126 40.931 40.800 0.008 0.000 0.948 366 D HN 0.651 nan 8.370 nan 0.000 0.460 367 E N 0.247 120.447 120.200 -0.000 0.000 2.049 367 E HA -0.224 4.125 4.350 -0.001 0.000 0.198 367 E C 2.145 178.743 176.600 -0.003 0.000 1.007 367 E CA 1.978 58.381 56.400 0.005 0.000 0.809 367 E CB 0.055 29.766 29.700 0.018 0.000 0.749 367 E HN 0.281 nan 8.360 nan 0.000 0.450 368 V N -0.608 119.303 119.914 -0.005 0.000 2.427 368 V HA -0.183 3.936 4.120 -0.001 0.000 0.248 368 V C 2.401 178.432 176.094 -0.106 0.000 1.051 368 V CA 1.385 63.679 62.300 -0.009 0.000 1.048 368 V CB -0.750 31.101 31.823 0.047 0.000 0.666 368 V HN 0.255 nan 8.190 nan 0.000 0.456 369 L N -0.003 121.137 121.223 -0.138 0.000 2.042 369 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 369 L C 2.846 179.639 176.870 -0.129 0.000 1.076 369 L CA 2.215 56.940 54.840 -0.193 0.000 0.749 369 L CB -0.740 41.242 42.059 -0.128 0.000 0.893 369 L HN 0.405 nan 8.230 nan 0.000 0.432 370 E N 0.494 120.653 120.200 -0.068 0.000 2.160 370 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 370 E C 1.895 178.472 176.600 -0.038 0.000 0.991 370 E CA 1.394 57.770 56.400 -0.039 0.000 0.810 370 E CB -0.209 29.482 29.700 -0.016 0.000 0.742 370 E HN 0.390 nan 8.360 nan 0.000 0.466 371 G N -1.004 107.771 108.800 -0.042 0.000 3.020 371 G HA2 0.106 4.066 3.960 -0.001 0.000 0.217 371 G HA3 0.106 4.066 3.960 -0.001 0.000 0.217 371 G C 0.102 174.983 174.900 -0.032 0.000 1.144 371 G CA -0.099 44.991 45.100 -0.016 0.000 0.760 371 G HN 0.066 nan 8.290 nan 0.000 0.548 372 V N 1.807 121.637 119.914 -0.140 0.000 2.673 372 V HA 0.292 4.412 4.120 -0.001 0.000 0.303 372 V C -0.032 175.999 176.094 -0.104 0.000 1.046 372 V CA 0.081 62.235 62.300 -0.244 0.000 1.126 372 V CB 0.844 32.290 31.823 -0.628 0.000 0.934 372 V HN 0.200 nan 8.190 nan 0.000 0.487 373 R N 3.432 123.927 120.500 -0.009 0.000 2.514 373 R HA 0.595 4.934 4.340 -0.001 0.000 0.296 373 R C -1.072 175.267 176.300 0.066 0.000 1.012 373 R CA -0.430 55.686 56.100 0.027 0.000 0.897 373 R CB 1.801 32.129 30.300 0.046 0.000 1.184 373 R HN 0.622 nan 8.270 nan 0.000 0.440 374 V N -1.199 118.741 119.914 0.044 0.000 2.960 374 V HA 0.483 4.602 4.120 -0.001 0.000 0.315 374 V C 0.741 176.858 176.094 0.039 0.000 1.087 374 V CA -0.802 61.535 62.300 0.063 0.000 0.982 374 V CB 2.396 34.260 31.823 0.070 0.000 1.039 374 V HN 0.478 nan 8.190 nan 0.000 0.437 375 D N 0.822 121.245 120.400 0.038 0.000 2.084 375 D HA -0.113 4.526 4.640 -0.001 0.000 0.194 375 D C 0.667 176.973 176.300 0.010 0.000 0.990 375 D CA 2.143 56.156 54.000 0.023 0.000 0.826 375 D CB -0.021 40.792 40.800 0.021 0.000 0.971 375 D HN 0.952 nan 8.370 nan 0.000 0.453 376 D N 0.760 121.164 120.400 0.007 0.000 2.502 376 D HA -0.037 4.602 4.640 -0.001 0.000 0.249 376 D C -1.711 174.578 176.300 -0.020 0.000 1.188 376 D CA -0.990 53.003 54.000 -0.012 0.000 0.890 376 D CB 1.496 42.283 40.800 -0.022 0.000 1.140 376 D HN -0.099 nan 8.370 nan 0.000 0.505 377 P HA -0.152 nan 4.420 nan 0.000 0.215 377 P C 1.011 178.286 177.300 -0.042 0.000 1.153 377 P CA 0.879 63.964 63.100 -0.026 0.000 0.853 377 P CB 0.175 31.862 31.700 -0.023 0.000 0.788 378 E N 0.126 120.287 120.200 -0.066 0.000 2.047 378 E HA -0.201 4.148 4.350 -0.001 0.000 0.191 378 E C 1.794 178.313 176.600 -0.135 0.000 0.987 378 E CA 1.231 57.570 56.400 -0.102 0.000 0.799 378 E CB -0.139 29.481 29.700 -0.133 0.000 0.752 378 E HN 0.128 nan 8.360 nan 0.000 0.449 379 K N 0.111 120.427 120.400 -0.140 0.000 2.097 379 K HA -0.198 4.122 4.320 -0.001 0.000 0.205 379 K C 2.266 178.866 176.600 -0.000 0.000 1.050 379 K CA 1.269 57.485 56.287 -0.118 0.000 0.938 379 K CB -0.083 32.397 32.500 -0.034 0.000 0.718 379 K HN 0.002 nan 8.250 nan 0.000 0.442 380 Q N 1.031 120.825 119.800 -0.009 0.000 2.084 380 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 380 Q C 1.792 177.792 176.000 -0.000 0.000 0.978 380 Q CA 1.990 57.793 55.803 0.000 0.000 0.844 380 Q CB -0.252 28.483 28.738 -0.004 0.000 0.898 380 Q HN 0.296 nan 8.270 nan 0.000 0.426 381 A N -0.070 122.742 122.820 -0.013 0.000 2.014 381 A HA 0.126 4.445 4.320 -0.001 0.000 0.218 381 A C 2.225 179.815 177.584 0.010 0.000 1.163 381 A CA 1.344 53.377 52.037 -0.006 0.000 0.652 381 A CB -0.886 18.103 19.000 -0.018 0.000 0.808 381 A HN 0.489 nan 8.150 nan 0.000 0.449 382 A N 0.213 123.036 122.820 0.005 0.000 1.972 382 A HA -0.088 4.231 4.320 -0.001 0.000 0.219 382 A C 2.029 179.690 177.584 0.128 0.000 1.169 382 A CA 1.391 53.463 52.037 0.059 0.000 0.635 382 A CB -0.591 18.423 19.000 0.024 0.000 0.810 382 A HN 0.514 nan 8.150 nan 0.000 0.446 383 I N -0.086 120.539 120.570 0.092 0.000 2.163 383 I HA -0.268 3.902 4.170 -0.001 0.000 0.243 383 I C 1.804 177.951 176.117 0.050 0.000 1.085 383 I CA 1.606 62.938 61.300 0.054 0.000 1.347 383 I CB -0.489 37.504 38.000 -0.011 0.000 1.044 383 I HN 0.254 nan 8.210 nan 0.000 0.408 384 D N 0.729 121.153 120.400 0.041 0.000 2.182 384 D HA -0.132 4.508 4.640 -0.001 0.000 0.201 384 D C 2.315 178.658 176.300 0.073 0.000 0.986 384 D CA 1.159 55.185 54.000 0.044 0.000 0.847 384 D CB -0.125 40.694 40.800 0.032 0.000 0.942 384 D HN 0.344 nan 8.370 nan 0.000 0.467 385 L N 0.197 121.475 121.223 0.092 0.000 2.156 385 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 385 L C 2.466 179.440 176.870 0.174 0.000 1.095 385 L CA 0.458 55.374 54.840 0.127 0.000 0.770 385 L CB -0.186 41.947 42.059 0.125 0.000 0.914 385 L HN 0.009 nan 8.230 nan 0.000 0.439 386 I N 0.002 120.669 120.570 0.163 0.000 2.252 386 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 386 I C 2.541 178.756 176.117 0.165 0.000 1.102 386 I CA 1.325 62.726 61.300 0.169 0.000 1.385 386 I CB -0.244 37.838 38.000 0.136 0.000 1.064 386 I HN 0.231 nan 8.210 nan 0.000 0.414 387 K N 0.476 120.942 120.400 0.109 0.000 2.057 387 K HA -0.242 4.077 4.320 -0.001 0.000 0.207 387 K C 2.042 178.707 176.600 0.109 0.000 1.049 387 K CA 1.481 57.820 56.287 0.087 0.000 0.931 387 K CB -0.243 32.287 32.500 0.050 0.000 0.714 387 K HN 0.362 nan 8.250 nan 0.000 0.440 388 E N 0.389 120.662 120.200 0.122 0.000 2.051 388 E HA -0.233 4.116 4.350 -0.001 0.000 0.192 388 E C 2.018 178.699 176.600 0.135 0.000 0.991 388 E CA 1.076 57.549 56.400 0.121 0.000 0.799 388 E CB -0.168 29.605 29.700 0.121 0.000 0.748 388 E HN 0.290 nan 8.360 nan 0.000 0.449 389 Y N 1.250 121.585 120.300 0.059 0.000 2.151 389 Y HA -0.250 4.299 4.550 -0.001 0.000 0.284 389 Y C 1.969 177.884 175.900 0.025 0.000 1.166 389 Y CA 1.753 59.881 58.100 0.047 0.000 1.163 389 Y CB -0.282 38.211 38.460 0.056 0.000 0.974 389 Y HN 0.045 nan 8.280 nan 0.000 0.511 390 L N -0.521 120.832 121.223 0.216 0.000 2.046 390 L HA -0.263 4.076 4.340 -0.001 0.000 0.208 390 L C 2.725 179.591 176.870 -0.006 0.000 1.077 390 L CA 1.576 56.481 54.840 0.108 0.000 0.747 390 L CB -0.569 41.560 42.059 0.116 0.000 0.896 390 L HN 0.378 nan 8.230 nan 0.000 0.432 391 M N 0.194 119.806 119.600 0.019 0.000 2.099 391 M HA -0.189 4.290 4.480 -0.001 0.000 0.262 391 M C 2.310 178.598 176.300 -0.019 0.000 1.067 391 M CA 1.956 57.269 55.300 0.022 0.000 1.124 391 M CB -0.440 32.201 32.600 0.069 0.000 1.353 391 M HN 0.159 nan 8.290 nan 0.000 0.410 392 I N 0.477 121.014 120.570 -0.055 0.000 2.163 392 I HA -0.339 3.831 4.170 -0.001 0.000 0.243 392 I C 2.548 178.535 176.117 -0.217 0.000 1.085 392 I CA 1.575 62.793 61.300 -0.136 0.000 1.347 392 I CB -0.625 37.281 38.000 -0.157 0.000 1.044 392 I HN 0.349 nan 8.210 nan 0.000 0.408 393 Q N 1.464 121.077 119.800 -0.310 0.000 2.096 393 Q HA -0.267 4.072 4.340 -0.001 0.000 0.204 393 Q C 2.005 177.896 176.000 -0.180 0.000 0.982 393 Q CA 1.872 57.495 55.803 -0.300 0.000 0.850 393 Q CB -0.232 28.283 28.738 -0.372 0.000 0.901 393 Q HN 0.171 nan 8.270 nan 0.000 0.422 394 K N -0.313 120.008 120.400 -0.132 0.000 2.063 394 K HA -0.103 4.216 4.320 -0.001 0.000 0.208 394 K C 1.892 178.410 176.600 -0.138 0.000 1.048 394 K CA 1.353 57.578 56.287 -0.103 0.000 0.928 394 K CB -0.045 32.422 32.500 -0.054 0.000 0.713 394 K HN 0.091 nan 8.250 nan 0.000 0.442 395 R N 0.194 120.613 120.500 -0.136 0.000 2.075 395 R HA -0.001 4.339 4.340 -0.001 0.000 0.232 395 R C 2.409 178.564 176.300 -0.243 0.000 1.126 395 R CA 1.398 57.397 56.100 -0.168 0.000 0.963 395 R CB -0.695 29.511 30.300 -0.156 0.000 0.858 395 R HN 0.341 nan 8.270 nan 0.000 0.435 396 I N 0.045 120.490 120.570 -0.209 0.000 2.202 396 I HA -0.159 4.010 4.170 -0.001 0.000 0.242 396 I C 2.483 178.436 176.117 -0.273 0.000 1.091 396 I CA 1.437 62.614 61.300 -0.206 0.000 1.368 396 I CB -0.818 37.126 38.000 -0.095 0.000 1.058 396 I HN 0.231 nan 8.210 nan 0.000 0.410 397 G N 0.140 108.806 108.800 -0.222 0.000 2.491 397 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.218 397 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.218 397 G C 1.572 176.298 174.900 -0.290 0.000 1.180 397 G CA 1.075 46.049 45.100 -0.209 0.000 0.774 397 G HN 0.429 nan 8.290 nan 0.000 0.562 398 Q N 0.375 119.949 119.800 -0.377 0.000 2.187 398 Q HA -0.055 4.285 4.340 -0.001 0.000 0.199 398 Q C 2.694 178.055 176.000 -1.065 0.000 0.957 398 Q CA 1.776 57.225 55.803 -0.590 0.000 0.857 398 Q CB -0.067 28.355 28.738 -0.527 0.000 0.929 398 Q HN 0.606 nan 8.270 nan 0.000 0.453 399 S N -1.407 113.741 115.700 -0.920 0.000 2.456 399 S HA 0.245 4.714 4.470 -0.001 0.000 0.224 399 S C 1.486 175.853 174.600 -0.389 0.000 1.035 399 S CA 0.355 58.064 58.200 -0.819 0.000 0.940 399 S CB 0.675 63.631 63.200 -0.406 0.000 0.799 399 S HN 0.396 nan 8.310 nan 0.000 0.508 400 A N 0.885 123.424 122.820 -0.469 0.000 1.817 400 A HA 0.455 4.775 4.320 -0.001 0.000 0.204 400 A C 1.755 179.066 177.584 -0.455 0.000 1.741 400 A CA 0.226 51.930 52.037 -0.555 0.000 1.196 400 A CB -0.045 18.200 19.000 -1.258 0.000 1.211 400 A HN 0.334 nan 8.150 nan 0.000 0.450 401 E N 0.493 120.455 120.200 -0.396 0.000 2.166 401 E HA 0.153 4.502 4.350 -0.001 0.000 0.192 401 E C 1.319 177.837 176.600 -0.137 0.000 0.967 401 E CA 0.197 56.464 56.400 -0.221 0.000 0.840 401 E CB -0.092 29.519 29.700 -0.149 0.000 0.795 401 E HN 0.513 nan 8.360 nan 0.000 0.470 402 G N 1.210 109.923 108.800 -0.145 0.000 2.720 402 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.237 402 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.237 402 G C 0.084 174.962 174.900 -0.035 0.000 1.239 402 G CA -0.243 44.806 45.100 -0.085 0.000 0.847 402 G HN 0.011 nan 8.290 nan 0.000 0.593 403 D N -0.202 120.202 120.400 0.008 0.000 2.264 403 D HA -0.034 4.605 4.640 -0.001 0.000 0.208 403 D C 1.623 178.012 176.300 0.150 0.000 0.966 403 D CA 0.978 55.007 54.000 0.048 0.000 0.864 403 D CB 0.284 41.118 40.800 0.057 0.000 0.933 403 D HN 0.262 nan 8.370 nan 0.000 0.499 404 K N 0.263 120.771 120.400 0.181 0.000 2.514 404 K HA 0.360 4.679 4.320 -0.001 0.000 0.207 404 K C 0.003 176.741 176.600 0.230 0.000 1.035 404 K CA -0.319 56.182 56.287 0.357 0.000 1.113 404 K CB 0.983 33.613 32.500 0.218 0.000 0.846 404 K HN -0.071 nan 8.250 nan 0.000 0.491 405 A N 0.796 123.672 122.820 0.094 0.000 2.477 405 A HA 0.069 4.388 4.320 -0.001 0.000 0.246 405 A C 0.769 178.420 177.584 0.112 0.000 1.078 405 A CA -0.339 51.650 52.037 -0.080 0.000 0.770 405 A CB 0.023 18.916 19.000 -0.178 0.000 1.011 405 A HN 0.288 nan 8.150 nan 0.000 0.494 406 W N 1.804 123.125 121.300 0.034 0.000 2.290 406 W HA -0.249 4.411 4.660 -0.001 0.000 0.318 406 W C 1.664 178.092 176.519 -0.152 0.000 1.248 406 W CA 1.337 58.608 57.345 -0.124 0.000 1.263 406 W CB -1.334 28.024 29.460 -0.170 0.000 1.147 406 W HN 0.666 nan 8.180 nan 0.000 0.494 407 L N -0.214 121.120 121.223 0.185 0.000 2.362 407 L HA -0.113 4.226 4.340 -0.001 0.000 0.219 407 L C 2.347 179.255 176.870 0.063 0.000 1.134 407 L CA 1.086 56.011 54.840 0.142 0.000 0.807 407 L CB -0.643 41.472 42.059 0.094 0.000 0.927 407 L HN -0.044 nan 8.230 nan 0.000 0.447 408 R N -1.854 118.674 120.500 0.046 0.000 2.300 408 R HA 0.013 4.353 4.340 -0.001 0.000 0.199 408 R C 0.957 177.158 176.300 -0.166 0.000 0.920 408 R CA 0.399 56.463 56.100 -0.060 0.000 1.046 408 R CB 0.295 30.538 30.300 -0.096 0.000 0.984 408 R HN 0.286 nan 8.270 nan 0.000 0.493 409 Y N -0.467 119.842 120.300 0.014 0.000 2.426 409 Y HA 0.145 4.695 4.550 -0.001 0.000 0.249 409 Y C 0.452 176.359 175.900 0.011 0.000 1.103 409 Y CA -0.494 57.623 58.100 0.029 0.000 1.256 409 Y CB 0.999 39.500 38.460 0.069 0.000 1.208 409 Y HN -0.289 nan 8.280 nan 0.000 0.519 410 V N 1.671 121.634 119.914 0.081 0.000 2.617 410 V HA 0.233 4.352 4.120 -0.001 0.000 0.304 410 V C 0.667 176.823 176.094 0.104 0.000 1.040 410 V CA -0.292 62.045 62.300 0.062 0.000 1.149 410 V CB -0.128 31.760 31.823 0.109 0.000 0.914 410 V HN 0.240 nan 8.190 nan 0.000 0.487 411 A N 3.139 126.046 122.820 0.145 0.000 2.247 411 A HA 0.578 4.898 4.320 -0.001 0.000 0.313 411 A C 1.174 178.808 177.584 0.084 0.000 1.109 411 A CA -0.336 51.776 52.037 0.125 0.000 0.890 411 A CB 0.373 19.488 19.000 0.192 0.000 1.239 411 A HN 0.821 nan 8.150 nan 0.000 0.506 412 E N 0.183 120.412 120.200 0.050 0.000 2.070 412 E HA -0.227 4.122 4.350 -0.001 0.000 0.197 412 E C 0.924 177.541 176.600 0.028 0.000 1.004 412 E CA 2.133 58.549 56.400 0.027 0.000 0.805 412 E CB -0.237 29.467 29.700 0.007 0.000 0.744 412 E HN 0.759 nan 8.360 nan 0.000 0.451 413 D N -1.185 119.244 120.400 0.048 0.000 2.348 413 D HA 0.040 4.679 4.640 -0.001 0.000 0.248 413 D C 0.935 177.235 176.300 0.001 0.000 1.142 413 D CA 0.761 54.774 54.000 0.022 0.000 0.904 413 D CB -0.611 40.216 40.800 0.045 0.000 0.901 413 D HN 0.257 nan 8.370 nan 0.000 0.523 414 G N -0.089 108.729 108.800 0.031 0.000 2.283 414 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.280 414 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.280 414 G C -0.093 174.830 174.900 0.039 0.000 1.029 414 G CA 0.513 45.632 45.100 0.032 0.000 0.840 414 G HN 0.547 nan 8.290 nan 0.000 0.505 415 K N -1.174 119.255 120.400 0.049 0.000 2.477 415 K HA 0.685 5.004 4.320 -0.001 0.000 0.255 415 K C -0.448 176.140 176.600 -0.021 0.000 0.952 415 K CA -1.083 55.194 56.287 -0.017 0.000 0.826 415 K CB 2.136 34.524 32.500 -0.186 0.000 1.331 415 K HN 0.078 nan 8.250 nan 0.000 0.437 416 I N 2.825 123.370 120.570 -0.042 0.000 2.330 416 I HA 0.159 4.329 4.170 -0.001 0.000 0.289 416 I C -0.058 176.055 176.117 -0.007 0.000 1.001 416 I CA -0.541 60.770 61.300 0.018 0.000 1.193 416 I CB 0.684 38.661 38.000 -0.038 0.000 1.345 416 I HN 0.463 nan 8.210 nan 0.000 0.461 417 H N 6.171 125.336 119.070 0.157 0.000 2.588 417 H HA 0.187 4.743 4.556 -0.001 0.000 0.223 417 H C 0.727 176.137 175.328 0.138 0.000 1.804 417 H CA -0.363 55.774 56.048 0.148 0.000 1.269 417 H CB 0.190 30.026 29.762 0.123 0.000 1.670 417 H HN 0.758 nan 8.280 nan 0.000 0.539 418 G N 1.240 110.150 108.800 0.183 0.000 2.484 418 G HA2 0.053 4.012 3.960 -0.001 0.000 0.235 418 G HA3 0.053 4.012 3.960 -0.001 0.000 0.235 418 G C 0.074 175.060 174.900 0.142 0.000 1.282 418 G CA -0.349 44.827 45.100 0.127 0.000 0.857 418 G HN 0.333 nan 8.290 nan 0.000 0.571 419 S N -0.954 114.820 115.700 0.123 0.000 2.610 419 S HA 0.572 5.041 4.470 -0.001 0.000 0.273 419 S C -0.104 174.509 174.600 0.023 0.000 1.274 419 S CA -0.502 57.767 58.200 0.115 0.000 1.023 419 S CB 1.742 65.074 63.200 0.220 0.000 0.962 419 S HN 0.516 nan 8.310 nan 0.000 0.523 420 V N 2.898 122.814 119.914 0.004 0.000 2.623 420 V HA 0.393 4.512 4.120 -0.001 0.000 0.304 420 V C -0.547 175.502 176.094 -0.074 0.000 1.054 420 V CA -0.962 61.278 62.300 -0.100 0.000 0.882 420 V CB 1.983 33.776 31.823 -0.049 0.000 1.002 420 V HN 0.844 nan 8.190 nan 0.000 0.424 421 N N 5.967 124.587 118.700 -0.133 0.000 2.589 421 N HA 0.341 5.081 4.740 -0.001 0.000 0.232 421 N C -1.885 173.588 175.510 -0.061 0.000 1.015 421 N CA -2.126 50.885 53.050 -0.065 0.000 0.931 421 N CB 2.036 40.488 38.487 -0.059 0.000 1.150 421 N HN 0.233 nan 8.380 nan 0.000 0.512 422 P HA -0.103 nan 4.420 nan 0.000 0.218 422 P C -0.060 177.316 177.300 0.127 0.000 1.146 422 P CA 1.328 64.509 63.100 0.135 0.000 0.820 422 P CB 0.298 32.078 31.700 0.133 0.000 0.778 423 N N -2.200 116.536 118.700 0.059 0.000 2.588 423 N HA 0.195 4.935 4.740 -0.001 0.000 0.298 423 N C 1.107 176.636 175.510 0.033 0.000 1.718 423 N CA -0.090 52.998 53.050 0.063 0.000 0.888 423 N CB -0.437 38.086 38.487 0.060 0.000 1.389 423 N HN -0.165 nan 8.380 nan 0.000 0.491 424 G N -0.891 107.913 108.800 0.007 0.000 2.598 424 G HA2 0.236 4.195 3.960 -0.001 0.000 0.215 424 G HA3 0.236 4.195 3.960 -0.001 0.000 0.215 424 G C 0.439 175.348 174.900 0.015 0.000 1.131 424 G CA 0.457 45.558 45.100 0.002 0.000 0.785 424 G HN 0.439 nan 8.290 nan 0.000 0.539 425 A N -0.248 122.587 122.820 0.025 0.000 2.340 425 A HA 0.599 4.919 4.320 -0.001 0.000 0.331 425 A C 1.493 179.097 177.584 0.034 0.000 1.140 425 A CA -0.043 52.010 52.037 0.026 0.000 0.801 425 A CB 1.558 20.572 19.000 0.023 0.000 1.234 425 A HN 0.482 nan 8.150 nan 0.000 0.469 426 V N 0.994 120.928 119.914 0.034 0.000 2.277 426 V HA -0.312 3.808 4.120 -0.001 0.000 0.253 426 V C 2.454 178.577 176.094 0.048 0.000 1.067 426 V CA 2.977 65.307 62.300 0.049 0.000 1.047 426 V CB -2.369 29.493 31.823 0.065 0.000 0.649 426 V HN 1.109 nan 8.190 nan 0.000 0.447 427 T N -1.988 112.584 114.554 0.030 0.000 2.897 427 T HA 0.176 4.526 4.350 -0.001 0.000 0.271 427 T C 1.676 176.416 174.700 0.067 0.000 1.084 427 T CA 1.868 63.988 62.100 0.032 0.000 1.123 427 T CB -0.086 68.782 68.868 -0.001 0.000 0.865 427 T HN 1.658 nan 8.240 nan 0.000 0.496 428 G N 0.695 109.542 108.800 0.079 0.000 2.205 428 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.180 428 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.180 428 G C 0.226 175.215 174.900 0.148 0.000 1.004 428 G CA -0.294 44.877 45.100 0.117 0.000 0.670 428 G HN 0.634 nan 8.290 nan 0.000 0.496 429 R N 0.549 121.115 120.500 0.111 0.000 2.726 429 R HA 0.637 4.976 4.340 -0.001 0.000 0.272 429 R C 0.791 177.130 176.300 0.064 0.000 1.097 429 R CA 0.459 56.628 56.100 0.116 0.000 1.198 429 R CB 0.609 30.965 30.300 0.094 0.000 1.114 429 R HN 0.458 nan 8.270 nan 0.000 0.550 430 A N 0.441 123.229 122.820 -0.054 0.000 2.256 430 A HA 0.525 4.844 4.320 -0.001 0.000 0.318 430 A C -0.214 177.251 177.584 -0.199 0.000 1.103 430 A CA -0.500 51.429 52.037 -0.179 0.000 0.860 430 A CB 1.111 19.867 19.000 -0.406 0.000 1.182 430 A HN 0.739 nan 8.150 nan 0.000 0.501 431 T N -1.568 112.803 114.554 -0.305 0.000 2.924 431 T HA 0.748 5.098 4.350 -0.001 0.000 0.291 431 T C -0.989 173.440 174.700 -0.451 0.000 1.045 431 T CA -0.621 61.378 62.100 -0.169 0.000 1.015 431 T CB 1.208 70.033 68.868 -0.070 0.000 1.103 431 T HN 0.683 nan 8.240 nan 0.000 0.496 432 H N -0.409 118.573 119.070 -0.147 0.000 2.771 432 H HA 0.865 5.420 4.556 -0.001 0.000 0.361 432 H C -0.309 174.871 175.328 -0.247 0.000 1.108 432 H CA -0.565 55.384 56.048 -0.166 0.000 1.201 432 H CB 1.745 31.419 29.762 -0.146 0.000 1.681 432 H HN 1.144 nan 8.280 nan 0.000 0.534 433 A N 1.004 123.672 122.820 -0.252 0.000 2.586 433 A HA 0.590 4.909 4.320 -0.001 0.000 0.290 433 A C -1.514 175.735 177.584 -0.558 0.000 1.086 433 A CA -0.957 50.730 52.037 -0.583 0.000 0.665 433 A CB 0.493 18.811 19.000 -1.138 0.000 1.279 433 A HN 0.614 nan 8.150 nan 0.000 0.423 434 F N -2.337 117.505 119.950 -0.180 0.000 3.040 434 F HA -0.127 4.400 4.527 -0.001 0.000 0.298 434 F C -2.267 173.022 175.800 -0.853 0.000 0.948 434 F CA 0.514 58.217 58.000 -0.495 0.000 1.022 434 F CB -2.546 36.349 39.000 -0.175 0.000 1.023 434 F HN 0.427 nan 8.300 nan 0.000 0.742 435 P HA 0.239 nan 4.420 nan 0.000 0.289 435 P C -0.250 176.991 177.300 -0.099 0.000 1.300 435 P CA -0.544 62.417 63.100 -0.232 0.000 0.828 435 P CB 1.089 32.781 31.700 -0.013 0.000 1.235 436 N N 0.739 119.406 118.700 -0.055 0.000 2.448 436 N HA 0.073 4.812 4.740 -0.001 0.000 0.250 436 N C 0.840 176.338 175.510 -0.020 0.000 1.136 436 N CA 0.017 53.043 53.050 -0.041 0.000 0.953 436 N CB -0.846 37.607 38.487 -0.056 0.000 1.251 436 N HN 0.286 nan 8.380 nan 0.000 0.502 437 L N 1.538 122.755 121.223 -0.009 0.000 2.633 437 L HA 0.020 4.360 4.340 -0.001 0.000 0.235 437 L C 1.377 178.190 176.870 -0.095 0.000 1.163 437 L CA 0.382 55.197 54.840 -0.042 0.000 0.859 437 L CB -0.292 41.828 42.059 0.101 0.000 0.973 437 L HN 0.513 nan 8.230 nan 0.000 0.451 438 A N 0.203 122.887 122.820 -0.225 0.000 2.460 438 A HA 0.111 4.431 4.320 -0.001 0.000 0.258 438 A C 1.000 178.457 177.584 -0.212 0.000 1.300 438 A CA -0.209 51.615 52.037 -0.354 0.000 0.913 438 A CB -0.089 18.409 19.000 -0.835 0.000 1.031 438 A HN 0.558 nan 8.150 nan 0.000 0.512 439 Q N -0.155 119.552 119.800 -0.155 0.000 2.248 439 Q HA 0.469 4.808 4.340 -0.001 0.000 0.324 439 Q C -1.035 174.926 176.000 -0.064 0.000 0.867 439 Q CA -0.233 55.516 55.803 -0.090 0.000 1.101 439 Q CB -0.195 28.519 28.738 -0.040 0.000 1.328 439 Q HN 0.408 nan 8.270 nan 0.000 0.408 440 I N 2.474 122.925 120.570 -0.197 0.000 2.395 440 I HA 0.314 4.483 4.170 -0.001 0.000 0.289 440 I C -1.941 174.093 176.117 -0.139 0.000 1.023 440 I CA -2.400 58.793 61.300 -0.178 0.000 1.350 440 I CB 0.992 38.613 38.000 -0.632 0.000 1.409 440 I HN 0.121 nan 8.210 nan 0.000 0.507 441 P HA -0.063 nan 4.420 nan 0.000 0.261 441 P C 0.099 177.371 177.300 -0.047 0.000 1.165 441 P CA 0.056 63.173 63.100 0.028 0.000 0.759 441 P CB 0.294 32.072 31.700 0.130 0.000 0.772 442 G N 1.980 110.756 108.800 -0.040 0.000 2.441 442 G HA2 0.195 4.155 3.960 -0.001 0.000 0.243 442 G HA3 0.195 4.155 3.960 -0.001 0.000 0.243 442 G C 1.375 176.262 174.900 -0.023 0.000 1.281 442 G CA -0.357 44.713 45.100 -0.049 0.000 0.854 442 G HN 0.471 nan 8.290 nan 0.000 0.560 443 V N 1.216 121.113 119.914 -0.028 0.000 2.439 443 V HA -0.266 3.853 4.120 -0.001 0.000 0.253 443 V C 2.266 178.365 176.094 0.008 0.000 1.074 443 V CA 2.080 64.382 62.300 0.004 0.000 1.076 443 V CB -0.660 31.172 31.823 0.015 0.000 0.664 443 V HN 0.720 nan 8.190 nan 0.000 0.461 444 R N 1.633 122.132 120.500 -0.003 0.000 2.276 444 R HA 0.203 4.542 4.340 -0.001 0.000 0.196 444 R C 1.289 177.586 176.300 -0.005 0.000 0.961 444 R CA 0.614 56.712 56.100 -0.005 0.000 1.024 444 R CB -0.072 30.223 30.300 -0.008 0.000 0.940 444 R HN 0.773 nan 8.270 nan 0.000 0.480 445 S N 1.192 116.896 115.700 0.005 0.000 2.632 445 S HA 0.294 4.763 4.470 -0.001 0.000 0.267 445 S C -2.475 172.132 174.600 0.011 0.000 1.276 445 S CA -1.591 56.617 58.200 0.013 0.000 0.998 445 S CB 1.045 64.262 63.200 0.029 0.000 0.953 445 S HN -0.192 nan 8.310 nan 0.000 0.547 446 P HA 0.071 nan 4.420 nan 0.000 0.258 446 P C -0.576 176.766 177.300 0.069 0.000 1.172 446 P CA 0.671 63.734 63.100 -0.060 0.000 0.762 446 P CB -0.427 31.280 31.700 0.012 0.000 0.764 447 Y N 0.991 121.317 120.300 0.043 0.000 4.907 447 Y HA -0.269 4.280 4.550 -0.001 0.000 0.246 447 Y C 1.968 177.916 175.900 0.081 0.000 0.968 447 Y CA 1.282 59.419 58.100 0.062 0.000 1.961 447 Y CB -2.476 36.024 38.460 0.067 0.000 1.487 447 Y HN 0.516 nan 8.280 nan 0.000 0.575 448 G N 0.012 108.899 108.800 0.145 0.000 2.459 448 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 448 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 448 G C 1.352 176.316 174.900 0.108 0.000 1.183 448 G CA 1.328 46.495 45.100 0.112 0.000 0.776 448 G HN 0.601 nan 8.290 nan 0.000 0.552 449 E N 0.040 120.292 120.200 0.086 0.000 2.070 449 E HA -0.212 4.138 4.350 -0.001 0.000 0.197 449 E C 2.671 179.344 176.600 0.123 0.000 1.004 449 E CA 1.376 57.830 56.400 0.090 0.000 0.805 449 E CB -0.163 29.576 29.700 0.065 0.000 0.744 449 E HN 0.533 nan 8.360 nan 0.000 0.451 450 Q N -0.166 119.724 119.800 0.151 0.000 2.050 450 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 450 Q C 2.403 178.507 176.000 0.173 0.000 0.980 450 Q CA 1.623 57.522 55.803 0.161 0.000 0.840 450 Q CB -0.154 28.709 28.738 0.208 0.000 0.898 450 Q HN 0.349 nan 8.270 nan 0.000 0.424 451 C N -0.245 119.199 119.300 0.240 0.000 2.436 451 C HA -0.105 4.354 4.460 -0.001 0.000 0.277 451 C C 2.606 177.722 174.990 0.211 0.000 1.241 451 C CA 0.701 59.902 59.018 0.306 0.000 1.721 451 C CB -0.750 27.253 27.740 0.439 0.000 2.043 451 C HN 0.428 nan 8.230 nan 0.000 0.472 452 R N 1.181 121.770 120.500 0.148 0.000 2.081 452 R HA -0.030 4.309 4.340 -0.001 0.000 0.235 452 R C 2.186 178.643 176.300 0.262 0.000 1.131 452 R CA 1.693 57.870 56.100 0.128 0.000 0.960 452 R CB -0.662 29.657 30.300 0.032 0.000 0.856 452 R HN 0.518 nan 8.270 nan 0.000 0.436 453 A N -0.212 122.729 122.820 0.202 0.000 2.067 453 A HA 0.001 4.320 4.320 -0.001 0.000 0.219 453 A C 2.114 179.845 177.584 0.245 0.000 1.158 453 A CA 1.451 53.617 52.037 0.215 0.000 0.661 453 A CB -0.622 18.473 19.000 0.157 0.000 0.801 453 A HN 0.393 nan 8.150 nan 0.000 0.452 454 A N -1.486 121.372 122.820 0.064 0.000 2.168 454 A HA 0.295 4.614 4.320 -0.001 0.000 0.215 454 A C 0.256 177.606 177.584 -0.389 0.000 1.152 454 A CA 0.226 52.071 52.037 -0.321 0.000 0.716 454 A CB -0.394 18.239 19.000 -0.611 0.000 0.794 454 A HN 0.348 nan 8.150 nan 0.000 0.465 455 F N -0.034 119.919 119.950 0.004 0.000 2.332 455 F HA 0.580 5.107 4.527 -0.001 0.000 0.368 455 F C 0.719 176.651 175.800 0.219 0.000 1.110 455 F CA 0.076 58.012 58.000 -0.107 0.000 1.087 455 F CB 1.579 40.271 39.000 -0.514 0.000 1.235 455 F HN 0.144 nan 8.300 nan 0.000 0.470 456 G N 0.808 109.954 108.800 0.577 0.000 2.556 456 G HA2 0.454 4.413 3.960 -0.001 0.000 0.294 456 G HA3 0.454 4.413 3.960 -0.001 0.000 0.294 456 G C 0.044 175.117 174.900 0.289 0.000 1.516 456 G CA -0.235 45.130 45.100 0.441 0.000 0.824 456 G HN 0.666 nan 8.290 nan 0.000 0.535 457 A N 0.397 123.365 122.820 0.248 0.000 1.978 457 A HA -0.048 4.271 4.320 -0.001 0.000 0.220 457 A C 2.011 179.709 177.584 0.191 0.000 1.170 457 A CA 2.303 54.504 52.037 0.273 0.000 0.636 457 A CB -0.547 18.651 19.000 0.329 0.000 0.810 457 A HN 1.046 nan 8.150 nan 0.000 0.448 458 E N -0.828 119.375 120.200 0.006 0.000 2.267 458 E HA -0.257 4.092 4.350 -0.001 0.000 0.197 458 E C 1.116 177.642 176.600 -0.124 0.000 0.998 458 E CA 1.398 57.744 56.400 -0.091 0.000 0.830 458 E CB -0.560 29.003 29.700 -0.228 0.000 0.751 458 E HN 0.751 nan 8.360 nan 0.000 0.491 459 H N -0.582 118.536 119.070 0.081 0.000 2.547 459 H HA 0.101 4.656 4.556 -0.001 0.000 0.266 459 H C -0.193 175.118 175.328 -0.028 0.000 0.988 459 H CA 0.640 56.693 56.048 0.008 0.000 1.147 459 H CB -0.323 29.425 29.762 -0.022 0.000 1.365 459 H HN 0.348 nan 8.280 nan 0.000 0.589 460 H N 0.481 119.513 119.070 -0.064 0.000 2.466 460 H HA 0.416 4.972 4.556 -0.001 0.000 0.338 460 H C -0.840 174.385 175.328 -0.173 0.000 1.091 460 H CA -0.612 55.268 56.048 -0.280 0.000 1.207 460 H CB 0.529 29.904 29.762 -0.644 0.000 1.466 460 H HN -0.044 nan 8.280 nan 0.000 0.493 461 L N 4.189 124.935 121.223 -0.795 0.000 2.296 461 L HA 0.245 4.584 4.340 -0.001 0.000 0.286 461 L C 0.079 176.562 176.870 -0.644 0.000 1.023 461 L CA -1.110 53.445 54.840 -0.476 0.000 0.812 461 L CB 1.336 43.255 42.059 -0.233 0.000 1.223 461 L HN 0.736 nan 8.230 nan 0.000 0.421 462 D N 2.093 122.415 120.400 -0.130 0.000 2.583 462 D HA -0.018 4.622 4.640 -0.001 0.000 0.232 462 D C 1.364 177.681 176.300 0.030 0.000 1.128 462 D CA 0.850 54.957 54.000 0.178 0.000 0.859 462 D CB 1.481 42.543 40.800 0.437 0.000 1.169 462 D HN 0.678 nan 8.370 nan 0.000 0.481 463 G N 2.938 111.789 108.800 0.086 0.000 2.470 463 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.220 463 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.220 463 G C 1.334 176.269 174.900 0.059 0.000 1.121 463 G CA 0.743 45.873 45.100 0.050 0.000 0.766 463 G HN 0.625 nan 8.290 nan 0.000 0.553 464 I N 0.084 120.710 120.570 0.094 0.000 2.900 464 I HA 0.020 4.190 4.170 -0.001 0.000 0.251 464 I C 2.953 179.103 176.117 0.055 0.000 1.102 464 I CA 1.371 62.713 61.300 0.071 0.000 1.457 464 I CB -0.263 37.786 38.000 0.082 0.000 1.285 464 I HN 0.184 nan 8.210 nan 0.000 0.459 465 T N -1.539 113.058 114.554 0.071 0.000 3.043 465 T HA 0.149 4.498 4.350 -0.001 0.000 0.263 465 T C 1.675 176.398 174.700 0.038 0.000 1.094 465 T CA 0.813 62.944 62.100 0.052 0.000 1.127 465 T CB 0.196 69.098 68.868 0.058 0.000 0.905 465 T HN 0.566 nan 8.240 nan 0.000 0.490 466 G N 1.503 110.325 108.800 0.037 0.000 2.159 466 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.256 466 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.256 466 G C -0.012 174.897 174.900 0.016 0.000 0.977 466 G CA 0.116 45.217 45.100 0.002 0.000 0.652 466 G HN 0.630 nan 8.290 nan 0.000 0.531 467 K N 0.707 121.144 120.400 0.061 0.000 2.144 467 K HA 0.478 4.797 4.320 -0.001 0.000 0.270 467 K C -2.454 174.231 176.600 0.141 0.000 1.005 467 K CA -2.316 54.017 56.287 0.076 0.000 0.932 467 K CB 0.811 33.351 32.500 0.067 0.000 1.021 467 K HN 0.055 nan 8.250 nan 0.000 0.462 468 P HA 0.030 nan 4.420 nan 0.000 0.268 468 P C -0.553 176.934 177.300 0.313 0.000 1.205 468 P CA -0.105 63.093 63.100 0.165 0.000 0.771 468 P CB 0.347 32.096 31.700 0.082 0.000 0.858 469 W N 2.222 123.577 121.300 0.091 0.000 2.141 469 W HA 0.347 5.007 4.660 -0.001 0.000 0.354 469 W C -0.280 176.295 176.519 0.093 0.000 1.297 469 W CA 0.017 57.453 57.345 0.152 0.000 1.380 469 W CB 0.245 29.903 29.460 0.330 0.000 1.168 469 W HN 0.031 nan 8.180 nan 0.000 0.639 470 V N 1.270 121.308 119.914 0.206 0.000 2.667 470 V HA 0.300 4.419 4.120 -0.001 0.000 0.308 470 V C -0.309 175.859 176.094 0.123 0.000 1.048 470 V CA -1.189 61.176 62.300 0.109 0.000 0.928 470 V CB 1.458 33.288 31.823 0.013 0.000 1.004 470 V HN 0.416 nan 8.190 nan 0.000 0.444 471 Q N 1.939 121.794 119.800 0.092 0.000 2.256 471 Q HA 0.728 5.068 4.340 -0.001 0.000 0.257 471 Q C -0.658 175.353 176.000 0.019 0.000 0.936 471 Q CA -0.584 55.257 55.803 0.064 0.000 0.903 471 Q CB 1.717 30.506 28.738 0.085 0.000 1.263 471 Q HN 0.936 nan 8.270 nan 0.000 0.440 472 A N 2.695 125.496 122.820 -0.031 0.000 2.291 472 A HA 0.732 5.051 4.320 -0.001 0.000 0.311 472 A C -0.384 177.165 177.584 -0.057 0.000 1.224 472 A CA -0.292 51.718 52.037 -0.046 0.000 0.821 472 A CB 1.169 20.113 19.000 -0.094 0.000 1.172 472 A HN 0.737 nan 8.150 nan 0.000 0.494 473 G N 1.456 110.267 108.800 0.018 0.000 2.417 473 G HA2 0.600 4.559 3.960 -0.001 0.000 0.320 473 G HA3 0.600 4.559 3.960 -0.001 0.000 0.320 473 G C -1.023 173.955 174.900 0.129 0.000 1.204 473 G CA -0.331 44.810 45.100 0.067 0.000 0.923 473 G HN 0.532 nan 8.290 nan 0.000 0.466 474 I N 1.612 122.284 120.570 0.170 0.000 2.582 474 I HA 0.455 4.624 4.170 -0.001 0.000 0.292 474 I C -1.057 175.304 176.117 0.405 0.000 1.066 474 I CA -0.777 60.690 61.300 0.278 0.000 1.053 474 I CB 2.644 40.841 38.000 0.329 0.000 1.241 474 I HN 0.319 nan 8.210 nan 0.000 0.421 475 D N 3.961 124.553 120.400 0.321 0.000 2.879 475 D HA 0.624 5.263 4.640 -0.001 0.000 0.236 475 D C -0.783 175.577 176.300 0.100 0.000 1.171 475 D CA -0.475 53.694 54.000 0.281 0.000 0.868 475 D CB 2.636 43.637 40.800 0.335 0.000 1.598 475 D HN 0.673 nan 8.370 nan 0.000 0.497 476 A N 2.385 125.180 122.820 -0.041 0.000 2.488 476 A HA 0.396 4.715 4.320 -0.001 0.000 0.249 476 A C 0.267 177.866 177.584 0.025 0.000 1.083 476 A CA -0.026 51.922 52.037 -0.148 0.000 0.768 476 A CB 0.111 18.971 19.000 -0.234 0.000 1.017 476 A HN 0.436 nan 8.150 nan 0.000 0.496 477 S N 1.587 117.302 115.700 0.025 0.000 2.505 477 S HA 0.433 4.902 4.470 -0.001 0.000 0.276 477 S C 1.239 175.917 174.600 0.130 0.000 1.274 477 S CA 0.373 58.627 58.200 0.090 0.000 1.053 477 S CB 0.791 64.025 63.200 0.057 0.000 0.919 477 S HN 2.018 nan 8.310 nan 0.000 0.490 478 G N 2.571 111.510 108.800 0.231 0.000 2.441 478 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.298 478 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.298 478 G C 0.668 175.737 174.900 0.282 0.000 0.949 478 G CA 0.553 45.836 45.100 0.304 0.000 1.072 478 G HN 0.702 nan 8.290 nan 0.000 0.512 479 L N -0.114 121.263 121.223 0.258 0.000 1.951 479 L HA -0.133 4.207 4.340 -0.001 0.000 0.222 479 L C 2.609 179.649 176.870 0.283 0.000 1.078 479 L CA 3.059 58.026 54.840 0.211 0.000 0.778 479 L CB -0.552 41.600 42.059 0.155 0.000 0.893 479 L HN 0.521 nan 8.230 nan 0.000 0.436 480 E N -0.890 119.498 120.200 0.313 0.000 2.204 480 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 480 E C 2.267 179.149 176.600 0.470 0.000 0.990 480 E CA 1.122 57.733 56.400 0.352 0.000 0.821 480 E CB -0.182 29.636 29.700 0.198 0.000 0.750 480 E HN 0.539 nan 8.360 nan 0.000 0.477 481 L N 0.263 121.798 121.223 0.521 0.000 2.156 481 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 481 L C 2.396 179.504 176.870 0.397 0.000 1.095 481 L CA 0.856 55.965 54.840 0.448 0.000 0.770 481 L CB -0.181 42.069 42.059 0.318 0.000 0.914 481 L HN 0.056 nan 8.230 nan 0.000 0.439 482 R N -1.212 119.472 120.500 0.306 0.000 2.148 482 R HA -0.081 4.259 4.340 -0.001 0.000 0.223 482 R C 2.317 178.842 176.300 0.374 0.000 1.088 482 R CA 1.047 57.304 56.100 0.261 0.000 0.985 482 R CB -0.462 29.968 30.300 0.218 0.000 0.880 482 R HN 0.387 nan 8.270 nan 0.000 0.451 483 C N 0.712 120.279 119.300 0.444 0.000 2.440 483 C HA -0.045 4.414 4.460 -0.001 0.000 0.278 483 C C 2.559 177.834 174.990 0.476 0.000 1.295 483 C CA 0.208 59.546 59.018 0.534 0.000 1.738 483 C CB -0.789 27.276 27.740 0.541 0.000 1.987 483 C HN 0.436 nan 8.230 nan 0.000 0.492 484 L N 2.203 123.694 121.223 0.447 0.000 1.994 484 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 484 L C 2.588 179.674 176.870 0.361 0.000 1.071 484 L CA 2.532 57.612 54.840 0.400 0.000 0.745 484 L CB -1.044 41.203 42.059 0.313 0.000 0.892 484 L HN 0.245 nan 8.230 nan 0.000 0.431 485 A N -1.070 122.005 122.820 0.425 0.000 1.917 485 A HA -0.355 3.964 4.320 -0.001 0.000 0.219 485 A C 2.282 179.941 177.584 0.126 0.000 1.182 485 A CA 2.108 54.377 52.037 0.386 0.000 0.633 485 A CB -1.238 17.922 19.000 0.266 0.000 0.819 485 A HN 0.823 nan 8.150 nan 0.000 0.448 486 H N -1.662 117.324 119.070 -0.140 0.000 2.293 486 H HA -0.124 4.432 4.556 -0.001 0.000 0.300 486 H C 1.570 176.659 175.328 -0.400 0.000 1.082 486 H CA 2.217 57.946 56.048 -0.533 0.000 1.308 486 H CB -0.444 28.456 29.762 -1.437 0.000 1.375 486 H HN 0.395 nan 8.280 nan 0.000 0.495 487 F N 0.639 120.482 119.950 -0.177 0.000 2.365 487 F HA -0.105 4.421 4.527 -0.001 0.000 0.300 487 F C 2.265 178.031 175.800 -0.056 0.000 1.090 487 F CA 1.318 59.226 58.000 -0.153 0.000 1.408 487 F CB -0.296 38.740 39.000 0.059 0.000 1.060 487 F HN 0.388 nan 8.300 nan 0.000 0.534 488 M N -1.992 117.727 119.600 0.198 0.000 2.431 488 M HA 0.471 4.950 4.480 -0.001 0.000 0.237 488 M C 1.710 178.093 176.300 0.139 0.000 1.130 488 M CA 0.545 56.012 55.300 0.279 0.000 1.002 488 M CB -0.453 32.312 32.600 0.274 0.000 1.524 488 M HN -0.053 nan 8.290 nan 0.000 0.482 489 A N 2.805 125.609 122.820 -0.026 0.000 1.972 489 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 489 A C 2.326 179.840 177.584 -0.115 0.000 1.169 489 A CA 1.676 53.673 52.037 -0.066 0.000 0.635 489 A CB -0.650 18.256 19.000 -0.158 0.000 0.810 489 A HN 0.793 nan 8.150 nan 0.000 0.446 490 R N -2.374 117.974 120.500 -0.254 0.000 2.339 490 R HA 0.123 4.462 4.340 -0.001 0.000 0.199 490 R C 0.801 176.868 176.300 -0.388 0.000 1.018 490 R CA 1.170 57.048 56.100 -0.370 0.000 1.036 490 R CB -0.353 29.621 30.300 -0.543 0.000 0.899 490 R HN 0.431 nan 8.270 nan 0.000 0.473 491 F N 0.836 120.778 119.950 -0.014 0.000 2.592 491 F HA 0.119 4.645 4.527 -0.002 0.000 0.280 491 F C 1.328 177.129 175.800 0.002 0.000 1.083 491 F CA 0.035 58.033 58.000 -0.004 0.000 1.365 491 F CB 0.235 39.236 39.000 0.001 0.000 1.100 491 F HN 0.096 nan 8.300 nan 0.000 0.633 492 D N -1.757 118.758 120.400 0.193 0.000 2.440 492 D HA 0.018 4.657 4.640 -0.001 0.000 0.216 492 D C -0.071 176.275 176.300 0.076 0.000 1.150 492 D CA 0.051 54.126 54.000 0.126 0.000 0.832 492 D CB -0.755 40.126 40.800 0.135 0.000 0.992 492 D HN 0.021 nan 8.370 nan 0.000 0.502 493 N N 0.755 119.480 118.700 0.042 0.000 2.708 493 N HA -0.186 4.554 4.740 -0.001 0.000 0.249 493 N C 1.034 176.549 175.510 0.009 0.000 1.097 493 N CA 1.376 54.429 53.050 0.005 0.000 0.710 493 N CB -1.401 37.088 38.487 0.003 0.000 1.032 493 N HN 0.692 nan 8.380 nan 0.000 0.551 494 G N -0.942 107.877 108.800 0.031 0.000 2.132 494 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.234 494 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.234 494 G C 0.852 175.808 174.900 0.093 0.000 0.989 494 G CA 0.748 45.876 45.100 0.047 0.000 0.676 494 G HN 0.582 nan 8.290 nan 0.000 0.522 495 E N -1.036 119.233 120.200 0.115 0.000 2.007 495 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 495 E C 1.952 178.677 176.600 0.207 0.000 0.999 495 E CA 1.362 57.851 56.400 0.149 0.000 0.811 495 E CB -0.158 29.624 29.700 0.135 0.000 0.762 495 E HN 0.525 nan 8.360 nan 0.000 0.450 496 Y N 1.353 121.702 120.300 0.082 0.000 2.151 496 Y HA -0.263 4.286 4.550 -0.002 0.000 0.284 496 Y C 2.201 178.147 175.900 0.076 0.000 1.166 496 Y CA 1.321 59.466 58.100 0.075 0.000 1.163 496 Y CB -0.575 37.931 38.460 0.078 0.000 0.974 496 Y HN 0.028 nan 8.280 nan 0.000 0.511 497 A N -1.394 121.458 122.820 0.053 0.000 2.076 497 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 497 A C 1.952 179.530 177.584 -0.010 0.000 1.160 497 A CA 2.040 54.066 52.037 -0.017 0.000 0.653 497 A CB -1.009 18.020 19.000 0.047 0.000 0.801 497 A HN 0.738 nan 8.150 nan 0.000 0.455 498 H N -1.471 117.563 119.070 -0.060 0.000 2.418 498 H HA 0.136 4.691 4.556 -0.001 0.000 0.300 498 H C 1.979 177.265 175.328 -0.071 0.000 1.041 498 H CA 1.166 57.186 56.048 -0.047 0.000 1.364 498 H CB 0.079 29.832 29.762 -0.014 0.000 1.439 498 H HN 0.258 nan 8.280 nan 0.000 0.540 499 E N 0.770 120.895 120.200 -0.124 0.000 2.106 499 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 499 E C 2.258 178.714 176.600 -0.241 0.000 0.984 499 E CA 0.722 57.020 56.400 -0.170 0.000 0.806 499 E CB -0.290 29.408 29.700 -0.004 0.000 0.750 499 E HN 0.602 nan 8.360 nan 0.000 0.458 500 I N 0.540 120.885 120.570 -0.375 0.000 2.657 500 I HA -0.221 3.949 4.170 -0.001 0.000 0.261 500 I C 1.396 177.371 176.117 -0.237 0.000 1.212 500 I CA 0.723 61.782 61.300 -0.403 0.000 1.453 500 I CB 0.155 37.794 38.000 -0.602 0.000 1.092 500 I HN 0.035 nan 8.210 nan 0.000 0.452 501 L N 0.145 121.233 121.223 -0.225 0.000 2.628 501 L HA 0.124 4.463 4.340 -0.001 0.000 0.229 501 L C 0.415 177.187 176.870 -0.165 0.000 1.137 501 L CA -0.141 54.597 54.840 -0.170 0.000 0.909 501 L CB -0.585 41.381 42.059 -0.155 0.000 1.137 501 L HN 0.201 nan 8.230 nan 0.000 0.470 502 N N 1.640 120.236 118.700 -0.173 0.000 2.767 502 N HA 0.410 5.150 4.740 -0.001 0.000 0.238 502 N C 0.242 175.704 175.510 -0.079 0.000 1.083 502 N CA 0.576 53.549 53.050 -0.129 0.000 0.964 502 N CB 0.347 38.754 38.487 -0.133 0.000 1.252 502 N HN 0.276 nan 8.380 nan 0.000 0.512 503 G N 2.222 110.987 108.800 -0.059 0.000 2.787 503 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.685 503 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.685 503 G C -0.727 174.152 174.900 -0.035 0.000 1.437 503 G CA -0.480 44.599 45.100 -0.034 0.000 0.872 503 G HN 0.776 nan 8.290 nan 0.000 0.566 504 D N -0.640 119.753 120.400 -0.012 0.000 2.493 504 D HA 0.261 4.900 4.640 -0.001 0.000 0.240 504 D C 1.679 177.962 176.300 -0.028 0.000 1.142 504 D CA 0.268 54.265 54.000 -0.005 0.000 0.872 504 D CB 0.582 41.403 40.800 0.035 0.000 1.173 504 D HN 0.626 nan 8.370 nan 0.000 0.467 505 I N 4.376 124.891 120.570 -0.091 0.000 2.179 505 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 505 I C 1.704 177.735 176.117 -0.143 0.000 1.088 505 I CA 1.660 62.868 61.300 -0.153 0.000 1.357 505 I CB -0.315 37.527 38.000 -0.264 0.000 1.051 505 I HN 0.600 nan 8.210 nan 0.000 0.409 506 H N -0.351 118.750 119.070 0.052 0.000 2.357 506 H HA -0.070 4.486 4.556 -0.001 0.000 0.301 506 H C 2.215 177.581 175.328 0.062 0.000 1.082 506 H CA 1.945 58.026 56.048 0.054 0.000 1.342 506 H CB -0.827 28.963 29.762 0.046 0.000 1.389 506 H HN 0.318 nan 8.280 nan 0.000 0.511 507 T N 0.979 115.621 114.554 0.146 0.000 2.788 507 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 507 T C 2.064 176.811 174.700 0.078 0.000 1.044 507 T CA 1.359 63.518 62.100 0.098 0.000 1.139 507 T CB 0.125 69.033 68.868 0.068 0.000 0.867 507 T HN 0.347 nan 8.240 nan 0.000 0.454 508 K N 0.954 121.390 120.400 0.061 0.000 2.026 508 K HA -0.132 4.187 4.320 -0.001 0.000 0.208 508 K C 2.086 178.740 176.600 0.090 0.000 1.048 508 K CA 1.401 57.718 56.287 0.050 0.000 0.929 508 K CB -0.087 32.428 32.500 0.024 0.000 0.713 508 K HN 0.131 nan 8.250 nan 0.000 0.439 509 N N 1.130 119.917 118.700 0.146 0.000 2.166 509 N HA -0.199 4.540 4.740 -0.001 0.000 0.186 509 N C 1.738 177.394 175.510 0.244 0.000 1.019 509 N CA 1.001 54.218 53.050 0.279 0.000 0.856 509 N CB -0.229 38.475 38.487 0.360 0.000 0.993 509 N HN 0.385 nan 8.380 nan 0.000 0.426 510 Q N 0.263 120.160 119.800 0.161 0.000 2.030 510 Q HA -0.142 4.197 4.340 -0.001 0.000 0.204 510 Q C 1.700 177.741 176.000 0.067 0.000 0.986 510 Q CA 1.312 57.175 55.803 0.102 0.000 0.843 510 Q CB -0.040 28.748 28.738 0.083 0.000 0.904 510 Q HN 0.172 nan 8.270 nan 0.000 0.420 511 I N 0.848 121.454 120.570 0.060 0.000 2.226 511 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 511 I C 2.342 178.475 176.117 0.027 0.000 1.100 511 I CA 1.544 62.864 61.300 0.032 0.000 1.374 511 I CB -0.943 37.070 38.000 0.022 0.000 1.057 511 I HN 0.249 nan 8.210 nan 0.000 0.413 512 A N -0.050 122.798 122.820 0.047 0.000 1.933 512 A HA -0.034 4.285 4.320 -0.001 0.000 0.218 512 A C 2.324 179.939 177.584 0.053 0.000 1.175 512 A CA 1.768 53.811 52.037 0.011 0.000 0.628 512 A CB -0.872 18.092 19.000 -0.060 0.000 0.814 512 A HN 0.394 nan 8.150 nan 0.000 0.444 513 A N -1.339 121.564 122.820 0.137 0.000 2.275 513 A HA 0.349 4.668 4.320 -0.001 0.000 0.212 513 A C 0.558 178.103 177.584 -0.065 0.000 1.201 513 A CA 0.691 52.748 52.037 0.034 0.000 0.843 513 A CB -0.384 18.507 19.000 -0.181 0.000 0.873 513 A HN 0.549 nan 8.150 nan 0.000 0.492 514 E N -0.551 119.633 120.200 -0.025 0.000 2.389 514 E HA -0.174 4.175 4.350 -0.001 0.000 0.243 514 E C -0.684 175.886 176.600 -0.049 0.000 1.154 514 E CA 0.346 56.726 56.400 -0.033 0.000 0.723 514 E CB -1.905 27.773 29.700 -0.036 0.000 1.261 514 E HN 0.658 nan 8.360 nan 0.000 0.390 515 L N 0.229 121.423 121.223 -0.048 0.000 2.399 515 L HA 0.285 4.624 4.340 -0.001 0.000 0.265 515 L C -0.487 176.374 176.870 -0.016 0.000 1.089 515 L CA -1.796 53.015 54.840 -0.048 0.000 0.802 515 L CB 0.146 42.172 42.059 -0.054 0.000 1.180 515 L HN -0.058 nan 8.230 nan 0.000 0.454 516 P HA -0.041 nan 4.420 nan 0.000 0.218 516 P C 0.352 177.656 177.300 0.006 0.000 1.152 516 P CA 0.957 64.056 63.100 -0.003 0.000 0.826 516 P CB 0.199 31.897 31.700 -0.004 0.000 0.790 517 T N -4.625 109.935 114.554 0.011 0.000 2.906 517 T HA 0.426 4.775 4.350 -0.001 0.000 0.295 517 T C 0.929 175.646 174.700 0.028 0.000 1.075 517 T CA -0.918 61.192 62.100 0.016 0.000 1.005 517 T CB 2.671 71.545 68.868 0.011 0.000 1.136 517 T HN -0.164 nan 8.240 nan 0.000 0.498 518 R N 0.249 120.767 120.500 0.031 0.000 2.081 518 R HA -0.119 4.220 4.340 -0.001 0.000 0.235 518 R C 1.252 177.564 176.300 0.020 0.000 1.131 518 R CA 1.920 58.049 56.100 0.047 0.000 0.960 518 R CB -0.531 29.799 30.300 0.051 0.000 0.856 518 R HN 0.717 nan 8.270 nan 0.000 0.436 519 D N 0.095 120.496 120.400 0.002 0.000 2.123 519 D HA -0.208 4.431 4.640 -0.001 0.000 0.196 519 D C 1.476 177.782 176.300 0.011 0.000 0.992 519 D CA 1.090 55.084 54.000 -0.010 0.000 0.833 519 D CB -0.437 40.361 40.800 -0.004 0.000 0.954 519 D HN 0.356 nan 8.370 nan 0.000 0.455 520 N N 0.109 118.826 118.700 0.028 0.000 2.396 520 N HA -0.091 4.648 4.740 -0.001 0.000 0.180 520 N C 1.529 177.090 175.510 0.086 0.000 1.028 520 N CA 0.886 53.965 53.050 0.049 0.000 0.893 520 N CB 0.201 38.707 38.487 0.032 0.000 0.967 520 N HN 0.074 nan 8.380 nan 0.000 0.440 521 A N 0.943 123.813 122.820 0.083 0.000 1.930 521 A HA -0.035 4.285 4.320 -0.001 0.000 0.215 521 A C 2.210 179.868 177.584 0.124 0.000 1.176 521 A CA 0.863 52.993 52.037 0.154 0.000 0.632 521 A CB -0.201 18.899 19.000 0.167 0.000 0.819 521 A HN 0.227 nan 8.150 nan 0.000 0.445 522 K N -0.625 119.759 120.400 -0.027 0.000 2.057 522 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 522 K C 2.057 178.671 176.600 0.024 0.000 1.050 522 K CA 1.851 58.027 56.287 -0.185 0.000 0.935 522 K CB -0.291 32.035 32.500 -0.289 0.000 0.715 522 K HN 0.472 nan 8.250 nan 0.000 0.439 523 T N 0.982 115.587 114.554 0.086 0.000 2.777 523 T HA -0.145 4.204 4.350 -0.001 0.000 0.266 523 T C 1.413 176.190 174.700 0.128 0.000 1.040 523 T CA 1.179 63.358 62.100 0.132 0.000 1.141 523 T CB -0.324 68.610 68.868 0.111 0.000 0.868 523 T HN 0.189 nan 8.240 nan 0.000 0.444 524 F N 2.205 122.149 119.950 -0.009 0.000 2.014 524 F HA -0.072 4.454 4.527 -0.002 0.000 0.295 524 F C 2.086 177.857 175.800 -0.048 0.000 1.145 524 F CA 0.643 58.612 58.000 -0.053 0.000 1.178 524 F CB -1.030 37.884 39.000 -0.143 0.000 0.972 524 F HN 0.016 nan 8.300 nan 0.000 0.476 525 I N -0.058 120.088 120.570 -0.705 0.000 2.185 525 I HA -0.359 3.811 4.170 -0.001 0.000 0.246 525 I C 2.091 177.969 176.117 -0.399 0.000 1.088 525 I CA 1.822 62.697 61.300 -0.707 0.000 1.347 525 I CB -0.889 36.889 38.000 -0.370 0.000 1.041 525 I HN 0.297 nan 8.210 nan 0.000 0.415 526 Y N 0.152 120.374 120.300 -0.131 0.000 2.337 526 Y HA 0.106 4.655 4.550 -0.001 0.000 0.293 526 Y C 2.551 178.391 175.900 -0.100 0.000 1.123 526 Y CA 0.853 58.887 58.100 -0.111 0.000 1.201 526 Y CB -1.376 37.144 38.460 0.100 0.000 1.011 526 Y HN 0.174 nan 8.280 nan 0.000 0.545 527 G N -0.362 108.483 108.800 0.076 0.000 2.418 527 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.217 527 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.217 527 G C 1.678 176.560 174.900 -0.030 0.000 1.158 527 G CA 0.888 46.034 45.100 0.076 0.000 0.771 527 G HN 0.400 nan 8.290 nan 0.000 0.545 528 F N 1.410 121.148 119.950 -0.352 0.000 2.046 528 F HA -0.067 4.459 4.527 -0.001 0.000 0.297 528 F C 2.217 177.843 175.800 -0.290 0.000 1.123 528 F CA 1.536 59.297 58.000 -0.398 0.000 1.199 528 F CB -0.721 37.784 39.000 -0.824 0.000 0.972 528 F HN 0.104 nan 8.300 nan 0.000 0.474 529 L N -0.105 120.570 121.223 -0.914 0.000 2.129 529 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 529 L C 0.980 177.370 176.870 -0.800 0.000 1.087 529 L CA 1.784 55.987 54.840 -1.061 0.000 0.757 529 L CB -1.310 40.248 42.059 -0.834 0.000 0.896 529 L HN 0.314 nan 8.230 nan 0.000 0.434 530 Y N 0.211 120.396 120.300 -0.192 0.000 2.718 530 Y HA 0.511 5.060 4.550 -0.000 0.000 0.322 530 Y C 1.585 177.450 175.900 -0.058 0.000 1.122 530 Y CA -0.767 57.273 58.100 -0.100 0.000 1.348 530 Y CB -0.562 37.875 38.460 -0.038 0.000 1.174 530 Y HN 0.195 nan 8.280 nan 0.000 0.523 531 G N 0.438 109.213 108.800 -0.042 0.000 2.246 531 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.273 531 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.273 531 G C 0.344 175.287 174.900 0.072 0.000 1.055 531 G CA 0.030 45.140 45.100 0.017 0.000 0.851 531 G HN 0.713 nan 8.290 nan 0.000 0.500 532 A N -0.139 122.720 122.820 0.064 0.000 2.425 532 A HA 0.738 5.057 4.320 -0.001 0.000 0.249 532 A C 1.319 178.954 177.584 0.086 0.000 1.084 532 A CA 0.791 52.882 52.037 0.089 0.000 0.781 532 A CB 0.537 19.595 19.000 0.097 0.000 1.019 532 A HN 1.819 nan 8.150 nan 0.000 0.490 533 G N 0.534 109.379 108.800 0.074 0.000 2.634 533 G HA2 0.314 4.273 3.960 -0.001 0.000 0.255 533 G HA3 0.314 4.273 3.960 -0.001 0.000 0.255 533 G C 0.267 175.215 174.900 0.079 0.000 1.205 533 G CA -0.023 45.116 45.100 0.065 0.000 0.884 533 G HN 0.698 nan 8.290 nan 0.000 0.549 534 D N -0.505 119.938 120.400 0.071 0.000 2.116 534 D HA -0.154 4.486 4.640 -0.001 0.000 0.193 534 D C 1.979 178.319 176.300 0.067 0.000 0.998 534 D CA 1.552 55.597 54.000 0.075 0.000 0.836 534 D CB -0.108 40.727 40.800 0.058 0.000 0.951 534 D HN 0.724 nan 8.370 nan 0.000 0.449 535 E N 0.679 120.911 120.200 0.053 0.000 2.038 535 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 535 E C 1.975 178.609 176.600 0.058 0.000 1.000 535 E CA 1.451 57.880 56.400 0.048 0.000 0.803 535 E CB 0.076 29.799 29.700 0.037 0.000 0.750 535 E HN -0.008 nan 8.360 nan 0.000 0.448 536 K N 0.361 120.800 120.400 0.065 0.000 2.063 536 K HA -0.139 4.181 4.320 -0.001 0.000 0.208 536 K C 1.953 178.610 176.600 0.095 0.000 1.048 536 K CA 1.424 57.756 56.287 0.075 0.000 0.928 536 K CB -0.193 32.354 32.500 0.078 0.000 0.713 536 K HN 0.162 nan 8.250 nan 0.000 0.442 537 I N 0.834 121.473 120.570 0.116 0.000 2.286 537 I HA -0.147 4.023 4.170 -0.001 0.000 0.248 537 I C 2.304 178.490 176.117 0.115 0.000 1.115 537 I CA 1.705 63.102 61.300 0.161 0.000 1.392 537 I CB -1.664 36.460 38.000 0.207 0.000 1.065 537 I HN 0.440 nan 8.210 nan 0.000 0.418 538 G N 0.048 108.895 108.800 0.078 0.000 2.421 538 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.216 538 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.216 538 G C 1.546 176.473 174.900 0.044 0.000 1.171 538 G CA 0.656 45.784 45.100 0.047 0.000 0.775 538 G HN 0.445 nan 8.290 nan 0.000 0.543 539 Q N -0.091 119.741 119.800 0.052 0.000 2.181 539 Q HA -0.085 4.255 4.340 -0.001 0.000 0.205 539 Q C 2.534 178.565 176.000 0.053 0.000 0.980 539 Q CA 1.106 56.938 55.803 0.048 0.000 0.862 539 Q CB -0.194 28.575 28.738 0.051 0.000 0.905 539 Q HN 0.593 nan 8.270 nan 0.000 0.429 540 I N 0.352 120.966 120.570 0.073 0.000 2.286 540 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 540 I C 2.141 178.295 176.117 0.061 0.000 1.104 540 I CA 1.008 62.359 61.300 0.085 0.000 1.397 540 I CB -0.021 38.061 38.000 0.137 0.000 1.072 540 I HN 0.182 nan 8.210 nan 0.000 0.417 541 V N -1.608 118.329 119.914 0.039 0.000 3.649 541 V HA 0.433 4.552 4.120 -0.001 0.000 0.275 541 V C 1.211 177.296 176.094 -0.014 0.000 1.281 541 V CA 0.297 62.588 62.300 -0.015 0.000 1.143 541 V CB -0.603 31.163 31.823 -0.095 0.000 0.892 541 V HN 0.539 nan 8.190 nan 0.000 0.441 542 G N -0.347 108.456 108.800 0.006 0.000 2.248 542 G HA2 0.190 4.150 3.960 -0.001 0.000 0.263 542 G HA3 0.190 4.150 3.960 -0.001 0.000 0.263 542 G C 0.069 174.969 174.900 0.000 0.000 1.082 542 G CA 0.294 45.397 45.100 0.005 0.000 0.863 542 G HN 1.623 nan 8.290 nan 0.000 0.495 543 A N -1.483 121.339 122.820 0.003 0.000 3.005 543 A HA 1.078 5.397 4.320 -0.001 0.000 0.282 543 A C 0.616 178.208 177.584 0.013 0.000 1.218 543 A CA 0.253 52.291 52.037 0.002 0.000 0.703 543 A CB 0.518 19.512 19.000 -0.011 0.000 1.387 543 A HN 1.878 nan 8.150 nan 0.000 0.592 544 G N -1.369 107.439 108.800 0.013 0.000 2.932 544 G HA2 0.486 4.446 3.960 -0.001 0.000 0.283 544 G HA3 0.486 4.446 3.960 -0.001 0.000 0.283 544 G C 0.507 175.421 174.900 0.024 0.000 1.336 544 G CA 0.121 45.233 45.100 0.020 0.000 1.056 544 G HN 0.977 nan 8.290 nan 0.000 0.522 545 K N -0.496 119.920 120.400 0.027 0.000 2.160 545 K HA -0.163 4.156 4.320 -0.001 0.000 0.206 545 K C 1.631 178.250 176.600 0.032 0.000 1.047 545 K CA 2.104 58.410 56.287 0.032 0.000 0.930 545 K CB -0.090 32.427 32.500 0.028 0.000 0.720 545 K HN 0.353 nan 8.250 nan 0.000 0.450 546 E N 0.958 121.172 120.200 0.023 0.000 2.072 546 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 546 E C 2.038 178.650 176.600 0.021 0.000 0.985 546 E CA 1.112 57.525 56.400 0.021 0.000 0.801 546 E CB -0.177 29.531 29.700 0.014 0.000 0.750 546 E HN 0.234 nan 8.360 nan 0.000 0.452 547 R N 0.794 121.302 120.500 0.013 0.000 2.152 547 R HA -0.013 4.327 4.340 -0.001 0.000 0.232 547 R C 1.992 178.299 176.300 0.011 0.000 1.117 547 R CA 1.652 57.753 56.100 0.002 0.000 0.981 547 R CB -0.915 29.377 30.300 -0.013 0.000 0.870 547 R HN 0.268 nan 8.270 nan 0.000 0.451 548 G N 0.313 109.134 108.800 0.036 0.000 2.394 548 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.214 548 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.214 548 G C 1.119 176.074 174.900 0.092 0.000 1.176 548 G CA 0.515 45.659 45.100 0.072 0.000 0.786 548 G HN 0.368 nan 8.290 nan 0.000 0.533 549 K N 0.598 121.042 120.400 0.072 0.000 2.097 549 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 549 K C 2.322 178.967 176.600 0.075 0.000 1.049 549 K CA 1.233 57.565 56.287 0.075 0.000 0.933 549 K CB -0.133 32.399 32.500 0.053 0.000 0.717 549 K HN 0.399 nan 8.250 nan 0.000 0.442 550 E N 0.827 121.061 120.200 0.056 0.000 2.012 550 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 550 E C 1.945 178.595 176.600 0.082 0.000 1.007 550 E CA 1.071 57.500 56.400 0.049 0.000 0.816 550 E CB -0.106 29.609 29.700 0.025 0.000 0.762 550 E HN 0.048 nan 8.360 nan 0.000 0.451 551 L N 1.529 122.805 121.223 0.088 0.000 2.129 551 L HA -0.219 4.121 4.340 -0.001 0.000 0.212 551 L C 2.053 179.057 176.870 0.222 0.000 1.087 551 L CA 1.682 56.617 54.840 0.158 0.000 0.757 551 L CB -0.500 41.548 42.059 -0.017 0.000 0.896 551 L HN 0.061 nan 8.230 nan 0.000 0.434 552 K N -0.791 119.714 120.400 0.174 0.000 2.025 552 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 552 K C 2.104 178.809 176.600 0.174 0.000 1.049 552 K CA 0.957 57.363 56.287 0.199 0.000 0.933 552 K CB -0.115 32.531 32.500 0.243 0.000 0.714 552 K HN 0.301 nan 8.250 nan 0.000 0.438 553 K N 1.365 121.844 120.400 0.132 0.000 2.001 553 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 553 K C 2.201 178.840 176.600 0.064 0.000 1.048 553 K CA 0.998 57.342 56.287 0.094 0.000 0.932 553 K CB -0.168 32.369 32.500 0.061 0.000 0.715 553 K HN 0.067 nan 8.250 nan 0.000 0.437 554 K N 0.046 120.482 120.400 0.059 0.000 2.089 554 K HA -0.186 4.134 4.320 -0.001 0.000 0.210 554 K C 1.952 178.467 176.600 -0.142 0.000 1.048 554 K CA 1.704 57.972 56.287 -0.031 0.000 0.926 554 K CB -0.097 32.397 32.500 -0.009 0.000 0.714 554 K HN -0.005 nan 8.250 nan 0.000 0.448 555 F N -0.229 119.621 119.950 -0.167 0.000 2.387 555 F HA -0.009 4.519 4.527 0.001 0.000 0.294 555 F C 1.842 177.553 175.800 -0.149 0.000 1.093 555 F CA 0.163 57.996 58.000 -0.277 0.000 1.420 555 F CB -0.211 38.370 39.000 -0.698 0.000 1.086 555 F HN 0.032 nan 8.300 nan 0.000 0.531 556 L N 0.416 121.728 121.223 0.148 0.000 2.217 556 L HA -0.066 4.273 4.340 -0.001 0.000 0.211 556 L C 2.014 178.945 176.870 0.103 0.000 1.107 556 L CA 1.697 56.690 54.840 0.256 0.000 0.783 556 L CB -0.854 41.380 42.059 0.293 0.000 0.919 556 L HN 0.078 nan 8.230 nan 0.000 0.442 557 E N -0.467 119.761 120.200 0.047 0.000 2.110 557 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 557 E C 2.005 178.598 176.600 -0.012 0.000 0.988 557 E CA 1.329 57.734 56.400 0.008 0.000 0.804 557 E CB -0.073 29.618 29.700 -0.014 0.000 0.745 557 E HN 0.589 nan 8.360 nan 0.000 0.458 558 N N -0.628 118.049 118.700 -0.037 0.000 2.106 558 N HA -0.088 4.652 4.740 -0.001 0.000 0.188 558 N C 0.097 175.602 175.510 -0.009 0.000 1.029 558 N CA 1.616 54.640 53.050 -0.044 0.000 0.848 558 N CB 0.200 38.625 38.487 -0.103 0.000 1.007 558 N HN 0.108 nan 8.380 nan 0.000 0.423 559 T N -1.926 112.626 114.554 -0.004 0.000 3.378 559 T HA 0.356 4.706 4.350 -0.001 0.000 0.359 559 T C -2.110 172.582 174.700 -0.012 0.000 1.815 559 T CA -1.703 60.378 62.100 -0.032 0.000 1.509 559 T CB 1.322 70.095 68.868 -0.158 0.000 1.049 559 T HN 0.063 nan 8.240 nan 0.000 0.705 560 P HA -0.052 nan 4.420 nan 0.000 0.222 560 P C 1.622 178.891 177.300 -0.053 0.000 1.147 560 P CA 0.721 63.812 63.100 -0.014 0.000 0.790 560 P CB 0.009 31.702 31.700 -0.011 0.000 0.780 561 A N 0.213 123.004 122.820 -0.048 0.000 2.070 561 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 561 A C 2.265 179.770 177.584 -0.133 0.000 1.159 561 A CA 0.933 52.921 52.037 -0.082 0.000 0.656 561 A CB -1.525 17.492 19.000 0.028 0.000 0.800 561 A HN 0.150 nan 8.150 nan 0.000 0.453 562 I N -0.308 120.206 120.570 -0.093 0.000 2.248 562 I HA -0.347 3.823 4.170 -0.001 0.000 0.248 562 I C 2.924 178.960 176.117 -0.135 0.000 1.107 562 I CA 1.117 62.356 61.300 -0.101 0.000 1.373 562 I CB -0.326 37.617 38.000 -0.095 0.000 1.055 562 I HN 0.391 nan 8.210 nan 0.000 0.418 563 A N 0.703 123.442 122.820 -0.135 0.000 1.902 563 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 563 A C 2.580 180.024 177.584 -0.233 0.000 1.181 563 A CA 1.765 53.716 52.037 -0.143 0.000 0.623 563 A CB -0.817 18.121 19.000 -0.104 0.000 0.818 563 A HN 0.425 nan 8.150 nan 0.000 0.443 564 A N -0.309 122.286 122.820 -0.376 0.000 1.883 564 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 564 A C 2.151 179.268 177.584 -0.779 0.000 1.186 564 A CA 1.883 53.502 52.037 -0.696 0.000 0.624 564 A CB -0.709 17.614 19.000 -1.128 0.000 0.822 564 A HN 0.776 nan 8.150 nan 0.000 0.444 565 L N -0.111 120.759 121.223 -0.587 0.000 2.017 565 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 565 L C 2.397 179.226 176.870 -0.068 0.000 1.073 565 L CA 2.117 56.897 54.840 -0.101 0.000 0.745 565 L CB -0.779 41.337 42.059 0.094 0.000 0.894 565 L HN 0.368 nan 8.230 nan 0.000 0.432 566 R N -0.633 119.805 120.500 -0.104 0.000 2.105 566 R HA -0.225 4.115 4.340 -0.001 0.000 0.239 566 R C 2.232 178.489 176.300 -0.072 0.000 1.135 566 R CA 1.554 57.610 56.100 -0.072 0.000 0.967 566 R CB -0.324 29.930 30.300 -0.077 0.000 0.861 566 R HN 0.408 nan 8.270 nan 0.000 0.442 567 E N 0.427 120.561 120.200 -0.110 0.000 2.051 567 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 567 E C 1.964 178.537 176.600 -0.046 0.000 0.991 567 E CA 2.040 58.386 56.400 -0.089 0.000 0.799 567 E CB -0.037 29.587 29.700 -0.126 0.000 0.748 567 E HN 0.327 nan 8.360 nan 0.000 0.449 568 S N -0.092 115.600 115.700 -0.012 0.000 2.368 568 S HA -0.148 4.321 4.470 -0.001 0.000 0.225 568 S C 2.179 176.791 174.600 0.021 0.000 1.030 568 S CA 1.204 59.438 58.200 0.057 0.000 0.999 568 S CB -0.653 62.674 63.200 0.212 0.000 0.844 568 S HN 0.301 nan 8.310 nan 0.000 0.459 569 I N 1.508 122.081 120.570 0.005 0.000 2.208 569 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 569 I C 3.147 179.249 176.117 -0.026 0.000 1.097 569 I CA 1.396 62.683 61.300 -0.022 0.000 1.363 569 I CB -0.410 37.568 38.000 -0.037 0.000 1.051 569 I HN 0.326 nan 8.210 nan 0.000 0.413 570 Q N 0.378 120.157 119.800 -0.035 0.000 2.084 570 Q HA -0.263 4.077 4.340 -0.001 0.000 0.202 570 Q C 2.511 178.473 176.000 -0.063 0.000 0.978 570 Q CA 2.438 58.207 55.803 -0.057 0.000 0.844 570 Q CB -0.454 28.247 28.738 -0.062 0.000 0.898 570 Q HN 0.729 nan 8.270 nan 0.000 0.426 571 Q N -0.099 119.675 119.800 -0.045 0.000 2.167 571 Q HA -0.076 4.264 4.340 -0.001 0.000 0.202 571 Q C 2.008 177.984 176.000 -0.041 0.000 0.970 571 Q CA 1.791 57.569 55.803 -0.042 0.000 0.855 571 Q CB -0.945 27.779 28.738 -0.023 0.000 0.911 571 Q HN 0.479 nan 8.270 nan 0.000 0.438 572 T N 0.548 115.081 114.554 -0.035 0.000 2.942 572 T HA 0.116 4.466 4.350 -0.001 0.000 0.265 572 T C 1.892 176.562 174.700 -0.051 0.000 1.062 572 T CA 1.186 63.257 62.100 -0.048 0.000 1.139 572 T CB -0.040 68.797 68.868 -0.052 0.000 0.883 572 T HN 0.482 nan 8.240 nan 0.000 0.468 573 L N 0.117 121.329 121.223 -0.018 0.000 2.269 573 L HA 0.245 4.585 4.340 -0.001 0.000 0.200 573 L C 0.517 177.419 176.870 0.054 0.000 1.069 573 L CA 0.185 55.070 54.840 0.074 0.000 0.804 573 L CB -0.009 42.166 42.059 0.193 0.000 0.987 573 L HN 0.012 nan 8.230 nan 0.000 0.468 574 V N 0.383 120.223 119.914 -0.123 0.000 2.509 574 V HA 0.097 4.217 4.120 -0.001 0.000 0.284 574 V C 0.848 176.832 176.094 -0.184 0.000 1.047 574 V CA -0.160 61.966 62.300 -0.289 0.000 0.952 574 V CB 1.815 33.395 31.823 -0.406 0.000 0.988 574 V HN 0.183 nan 8.190 nan 0.000 0.469 575 E N 2.959 123.047 120.200 -0.188 0.000 2.099 575 E HA 0.099 4.448 4.350 -0.001 0.000 0.191 575 E C 0.592 177.112 176.600 -0.133 0.000 0.962 575 E CA 1.001 57.330 56.400 -0.119 0.000 0.826 575 E CB 0.469 30.120 29.700 -0.081 0.000 0.788 575 E HN 0.894 nan 8.360 nan 0.000 0.461 576 S N -1.278 114.312 115.700 -0.183 0.000 2.578 576 S HA 0.653 5.122 4.470 -0.001 0.000 0.272 576 S C -1.039 173.421 174.600 -0.233 0.000 1.145 576 S CA -0.388 57.711 58.200 -0.168 0.000 0.835 576 S CB 1.153 64.287 63.200 -0.110 0.000 1.104 576 S HN 0.326 nan 8.310 nan 0.000 0.458 577 S N 0.830 116.402 115.700 -0.213 0.000 2.541 577 S HA 0.715 5.185 4.470 -0.001 0.000 0.271 577 S C -0.724 173.762 174.600 -0.190 0.000 1.133 577 S CA -0.847 57.194 58.200 -0.266 0.000 0.876 577 S CB 1.760 64.740 63.200 -0.366 0.000 1.105 577 S HN 0.883 nan 8.310 nan 0.000 0.470 578 Q N 0.051 119.731 119.800 -0.199 0.000 3.082 578 Q HA 0.623 4.962 4.340 -0.001 0.000 0.197 578 Q C -1.388 174.559 176.000 -0.088 0.000 1.138 578 Q CA -0.819 54.936 55.803 -0.080 0.000 0.544 578 Q CB 1.003 29.722 28.738 -0.032 0.000 4.702 578 Q HN 0.768 nan 8.270 nan 0.000 0.323 579 W N 0.157 121.440 121.300 -0.028 0.000 3.890 579 W HA 0.271 4.930 4.660 -0.001 0.000 0.298 579 W C -1.028 175.482 176.519 -0.014 0.000 1.165 579 W CA -0.559 56.773 57.345 -0.022 0.000 1.343 579 W CB 0.605 30.050 29.460 -0.025 0.000 1.067 579 W HN 0.269 nan 8.180 nan 0.000 0.398 580 V N 2.000 122.110 119.914 0.326 0.000 5.806 580 V HA 0.474 4.594 4.120 -0.001 0.000 0.274 580 V C 1.106 177.310 176.094 0.182 0.000 1.486 580 V CA 0.768 63.183 62.300 0.192 0.000 0.635 580 V CB 0.339 32.234 31.823 0.120 0.000 1.369 580 V HN 0.571 nan 8.190 nan 0.000 0.377 581 A N -0.691 122.204 122.820 0.125 0.000 2.108 581 A HA 0.426 4.746 4.320 -0.001 0.000 0.206 581 A C 1.728 179.369 177.584 0.094 0.000 1.212 581 A CA 0.946 53.034 52.037 0.084 0.000 0.843 581 A CB -0.087 18.944 19.000 0.051 0.000 0.902 581 A HN 0.920 nan 8.150 nan 0.000 0.477 582 G N -1.796 107.073 108.800 0.115 0.000 3.377 582 G HA2 0.515 4.475 3.960 -0.001 0.000 0.257 582 G HA3 0.515 4.475 3.960 -0.001 0.000 0.257 582 G C 0.147 175.140 174.900 0.155 0.000 1.038 582 G CA 1.495 46.661 45.100 0.111 0.000 0.809 582 G HN 0.993 nan 8.290 nan 0.000 0.526 583 E N -0.915 119.423 120.200 0.231 0.000 2.271 583 E HA 0.524 4.873 4.350 -0.001 0.000 0.262 583 E C -1.436 175.246 176.600 0.137 0.000 1.352 583 E CA -0.630 55.911 56.400 0.234 0.000 0.906 583 E CB 0.143 29.902 29.700 0.098 0.000 1.492 583 E HN 0.264 nan 8.360 nan 0.000 0.429 584 Q N 0.814 120.432 119.800 -0.303 0.000 2.271 584 Q HA 0.466 4.805 4.340 -0.001 0.000 0.258 584 Q C -0.945 174.840 176.000 -0.358 0.000 0.936 584 Q CA -0.753 54.590 55.803 -0.767 0.000 0.909 584 Q CB 1.163 28.997 28.738 -1.506 0.000 1.253 584 Q HN 0.457 nan 8.270 nan 0.000 0.440 585 Q N 2.971 122.610 119.800 -0.269 0.000 2.360 585 Q HA 0.323 4.662 4.340 -0.001 0.000 0.254 585 Q C -1.029 174.842 176.000 -0.214 0.000 0.975 585 Q CA -0.225 55.486 55.803 -0.152 0.000 0.912 585 Q CB 1.543 30.236 28.738 -0.075 0.000 1.212 585 Q HN 0.462 nan 8.270 nan 0.000 0.452 586 V N 2.827 122.621 119.914 -0.200 0.000 2.547 586 V HA 0.416 4.536 4.120 -0.001 0.000 0.299 586 V C -0.004 175.907 176.094 -0.305 0.000 1.040 586 V CA -0.840 61.238 62.300 -0.370 0.000 0.913 586 V CB 2.016 33.455 31.823 -0.641 0.000 0.992 586 V HN 0.530 nan 8.190 nan 0.000 0.449 587 K N 3.401 123.576 120.400 -0.375 0.000 2.339 587 K HA 0.422 4.741 4.320 -0.001 0.000 0.264 587 K C -1.465 174.964 176.600 -0.285 0.000 0.986 587 K CA -0.260 55.915 56.287 -0.187 0.000 0.866 587 K CB 1.195 33.623 32.500 -0.119 0.000 1.103 587 K HN 0.589 nan 8.250 nan 0.000 0.441 588 W N 2.645 123.917 121.300 -0.047 0.000 2.449 588 W HA 0.326 4.985 4.660 -0.001 0.000 0.331 588 W C 1.098 177.581 176.519 -0.061 0.000 1.119 588 W CA -0.594 56.715 57.345 -0.059 0.000 1.240 588 W CB 0.883 30.311 29.460 -0.053 0.000 1.251 588 W HN 0.487 nan 8.180 nan 0.000 0.576 589 K N 0.885 121.381 120.400 0.160 0.000 2.128 589 K HA 0.114 4.434 4.320 -0.001 0.000 0.202 589 K C 0.520 177.136 176.600 0.026 0.000 1.050 589 K CA 0.593 56.911 56.287 0.052 0.000 0.966 589 K CB 0.422 32.918 32.500 -0.007 0.000 0.759 589 K HN 0.310 nan 8.250 nan 0.000 0.454 590 R N 0.287 120.800 120.500 0.022 0.000 2.584 590 R HA 0.191 4.531 4.340 -0.001 0.000 0.276 590 R C -0.511 175.714 176.300 -0.126 0.000 1.046 590 R CA -0.495 55.494 56.100 -0.185 0.000 0.906 590 R CB 1.331 31.343 30.300 -0.478 0.000 1.215 590 R HN -0.220 nan 8.270 nan 0.000 0.449 591 R N 4.032 124.402 120.500 -0.217 0.000 2.388 591 R HA 0.231 4.570 4.340 -0.001 0.000 0.247 591 R C -1.074 175.106 176.300 -0.201 0.000 0.931 591 R CA 0.154 56.003 56.100 -0.417 0.000 1.082 591 R CB 0.294 30.341 30.300 -0.422 0.000 1.135 591 R HN 0.527 nan 8.270 nan 0.000 0.525 592 W N -0.981 120.221 121.300 -0.164 0.000 3.075 592 W HA 0.499 5.159 4.660 -0.001 0.000 0.334 592 W C -1.328 175.148 176.519 -0.072 0.000 1.243 592 W CA -1.324 55.946 57.345 -0.125 0.000 1.170 592 W CB 0.510 29.919 29.460 -0.084 0.000 1.452 592 W HN -0.304 nan 8.180 nan 0.000 0.572 593 I N 2.084 122.856 120.570 0.335 0.000 2.530 593 I HA 0.249 4.418 4.170 -0.001 0.000 0.297 593 I C 0.128 176.498 176.117 0.422 0.000 1.011 593 I CA -1.033 60.396 61.300 0.214 0.000 1.107 593 I CB 2.227 40.269 38.000 0.069 0.000 1.285 593 I HN 0.290 nan 8.210 nan 0.000 0.436 594 K N 4.485 125.098 120.400 0.354 0.000 2.284 594 K HA 0.348 4.667 4.320 -0.001 0.000 0.287 594 K C 0.157 176.867 176.600 0.184 0.000 1.081 594 K CA -0.244 56.258 56.287 0.358 0.000 0.910 594 K CB 0.745 33.453 32.500 0.346 0.000 1.088 594 K HN 0.842 nan 8.250 nan 0.000 0.478 595 G N 2.974 111.852 108.800 0.131 0.000 2.684 595 G HA2 0.020 3.980 3.960 -0.001 0.000 0.255 595 G HA3 0.020 3.980 3.960 -0.001 0.000 0.255 595 G C 1.048 175.917 174.900 -0.051 0.000 1.219 595 G CA -0.595 44.538 45.100 0.056 0.000 0.901 595 G HN 0.726 nan 8.290 nan 0.000 0.548 596 L N -0.101 120.991 121.223 -0.218 0.000 2.127 596 L HA -0.080 4.259 4.340 -0.001 0.000 0.211 596 L C 1.963 178.372 176.870 -0.767 0.000 1.089 596 L CA 1.654 56.102 54.840 -0.652 0.000 0.757 596 L CB -0.297 41.031 42.059 -1.218 0.000 0.899 596 L HN 0.690 nan 8.230 nan 0.000 0.434 597 D N -1.214 118.969 120.400 -0.362 0.000 2.358 597 D HA 0.140 4.780 4.640 -0.001 0.000 0.224 597 D C 1.351 177.684 176.300 0.055 0.000 1.123 597 D CA 0.495 54.502 54.000 0.011 0.000 0.833 597 D CB 0.373 41.324 40.800 0.251 0.000 0.946 597 D HN 0.228 nan 8.370 nan 0.000 0.505 598 G N 1.103 109.904 108.800 0.001 0.000 2.225 598 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.254 598 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.254 598 G C 0.549 175.505 174.900 0.092 0.000 0.988 598 G CA 0.196 45.316 45.100 0.032 0.000 0.625 598 G HN 0.711 nan 8.290 nan 0.000 0.527 599 R N 0.888 121.456 120.500 0.113 0.000 2.801 599 R HA 0.433 4.773 4.340 -0.001 0.000 0.273 599 R C -0.176 176.108 176.300 -0.027 0.000 1.080 599 R CA 0.021 56.203 56.100 0.137 0.000 1.197 599 R CB 0.509 30.953 30.300 0.240 0.000 1.109 599 R HN 0.254 nan 8.270 nan 0.000 0.535 600 K N 0.827 121.053 120.400 -0.290 0.000 2.205 600 K HA 0.275 4.594 4.320 -0.001 0.000 0.279 600 K C -0.880 175.659 176.600 -0.102 0.000 1.027 600 K CA -0.597 55.371 56.287 -0.531 0.000 0.932 600 K CB 1.739 33.528 32.500 -1.185 0.000 1.032 600 K HN 0.299 nan 8.250 nan 0.000 0.466 601 V N 3.665 123.631 119.914 0.087 0.000 2.325 601 V HA 0.041 4.161 4.120 -0.001 0.000 0.280 601 V C -0.357 175.832 176.094 0.158 0.000 1.016 601 V CA -0.875 61.491 62.300 0.110 0.000 0.818 601 V CB 0.520 32.403 31.823 0.100 0.000 1.019 601 V HN 0.744 nan 8.190 nan 0.000 0.434 602 H N 4.065 123.152 119.070 0.029 0.000 3.001 602 H HA 0.250 4.806 4.556 -0.001 0.000 0.334 602 H C -0.499 174.805 175.328 -0.040 0.000 1.034 602 H CA 0.563 56.612 56.048 0.001 0.000 1.420 602 H CB 0.910 30.649 29.762 -0.038 0.000 1.405 602 H HN 0.378 nan 8.280 nan 0.000 0.593 603 V N 7.865 127.368 119.914 -0.686 0.000 2.347 603 V HA 0.207 4.327 4.120 -0.001 0.000 0.280 603 V C 1.168 176.803 176.094 -0.765 0.000 1.021 603 V CA -0.473 61.511 62.300 -0.525 0.000 0.847 603 V CB 1.347 32.980 31.823 -0.317 0.000 0.990 603 V HN 0.893 nan 8.190 nan 0.000 0.444 604 R N 1.960 122.233 120.500 -0.378 0.000 2.093 604 R HA 0.125 4.464 4.340 -0.001 0.000 0.224 604 R C 0.748 177.042 176.300 -0.011 0.000 1.101 604 R CA 0.770 56.762 56.100 -0.179 0.000 0.979 604 R CB 0.235 30.523 30.300 -0.019 0.000 0.877 604 R HN 0.599 nan 8.270 nan 0.000 0.441 605 S N -1.495 114.230 115.700 0.041 0.000 2.536 605 S HA 0.293 4.762 4.470 -0.001 0.000 0.271 605 S C -2.381 172.323 174.600 0.173 0.000 1.134 605 S CA -1.630 56.682 58.200 0.187 0.000 0.897 605 S CB 1.833 65.137 63.200 0.174 0.000 1.094 605 S HN -0.231 nan 8.310 nan 0.000 0.473 606 P HA -0.143 nan 4.420 nan 0.000 0.218 606 P C 1.207 178.537 177.300 0.050 0.000 1.148 606 P CA 1.130 64.263 63.100 0.056 0.000 0.822 606 P CB -0.175 31.448 31.700 -0.128 0.000 0.784 607 H N -1.148 117.937 119.070 0.026 0.000 2.559 607 H HA 0.230 4.786 4.556 -0.001 0.000 0.273 607 H C 1.032 176.384 175.328 0.040 0.000 1.000 607 H CA 1.237 57.309 56.048 0.040 0.000 1.195 607 H CB -0.136 29.669 29.762 0.071 0.000 1.368 607 H HN 0.043 nan 8.280 nan 0.000 0.592 608 A N 0.435 122.978 122.820 -0.462 0.000 2.431 608 A HA 0.576 4.895 4.320 -0.001 0.000 0.239 608 A C 2.404 179.876 177.584 -0.187 0.000 1.230 608 A CA 0.423 52.216 52.037 -0.406 0.000 0.928 608 A CB -0.172 18.538 19.000 -0.484 0.000 1.006 608 A HN 0.474 nan 8.150 nan 0.000 0.520 609 A N 0.581 123.343 122.820 -0.097 0.000 1.884 609 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 609 A C 2.044 179.591 177.584 -0.060 0.000 1.197 609 A CA 2.022 54.026 52.037 -0.053 0.000 0.637 609 A CB -0.760 18.236 19.000 -0.006 0.000 0.827 609 A HN 0.925 nan 8.150 nan 0.000 0.450 610 L N 0.851 122.060 121.223 -0.024 0.000 2.043 610 L HA -0.228 4.111 4.340 -0.001 0.000 0.212 610 L C 2.125 179.029 176.870 0.056 0.000 1.075 610 L CA 2.677 57.532 54.840 0.025 0.000 0.752 610 L CB -0.892 41.220 42.059 0.089 0.000 0.891 610 L HN 0.599 nan 8.230 nan 0.000 0.432 611 N N -1.370 117.304 118.700 -0.043 0.000 2.166 611 N HA -0.189 4.550 4.740 -0.001 0.000 0.186 611 N C 1.559 176.927 175.510 -0.236 0.000 1.019 611 N CA 1.925 54.741 53.050 -0.390 0.000 0.856 611 N CB 0.016 38.049 38.487 -0.757 0.000 0.993 611 N HN 0.483 nan 8.380 nan 0.000 0.426 612 T N 1.790 116.247 114.554 -0.162 0.000 2.708 612 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 612 T C 1.949 176.613 174.700 -0.059 0.000 1.037 612 T CA 0.840 62.876 62.100 -0.106 0.000 1.146 612 T CB -0.307 68.506 68.868 -0.092 0.000 0.865 612 T HN 0.143 nan 8.240 nan 0.000 0.435 613 L N 0.889 122.067 121.223 -0.075 0.000 1.989 613 L HA -0.002 4.338 4.340 -0.001 0.000 0.211 613 L C 2.185 179.064 176.870 0.014 0.000 1.071 613 L CA 1.720 56.491 54.840 -0.115 0.000 0.749 613 L CB -0.581 41.303 42.059 -0.293 0.000 0.890 613 L HN 0.249 nan 8.230 nan 0.000 0.431 614 L N -1.265 120.012 121.223 0.090 0.000 2.109 614 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 614 L C 2.608 179.586 176.870 0.180 0.000 1.086 614 L CA 1.287 56.275 54.840 0.247 0.000 0.760 614 L CB -0.630 41.636 42.059 0.346 0.000 0.910 614 L HN 0.459 nan 8.230 nan 0.000 0.437 615 Q N -0.325 119.502 119.800 0.044 0.000 2.079 615 Q HA -0.205 4.134 4.340 -0.001 0.000 0.200 615 Q C 2.443 178.478 176.000 0.059 0.000 0.974 615 Q CA 1.787 57.588 55.803 -0.003 0.000 0.840 615 Q CB 0.072 28.736 28.738 -0.123 0.000 0.898 615 Q HN 0.349 nan 8.270 nan 0.000 0.430 616 S N -0.341 115.398 115.700 0.065 0.000 2.356 616 S HA -0.158 4.311 4.470 -0.001 0.000 0.223 616 S C 1.940 176.626 174.600 0.143 0.000 1.032 616 S CA 1.201 59.458 58.200 0.094 0.000 1.005 616 S CB -0.324 62.922 63.200 0.076 0.000 0.867 616 S HN 0.528 nan 8.310 nan 0.000 0.449 617 A N 0.834 123.775 122.820 0.203 0.000 1.908 617 A HA 0.084 4.404 4.320 -0.001 0.000 0.218 617 A C 2.352 180.056 177.584 0.200 0.000 1.181 617 A CA 1.926 54.115 52.037 0.253 0.000 0.627 617 A CB -1.674 17.632 19.000 0.510 0.000 0.818 617 A HN 0.640 nan 8.150 nan 0.000 0.445 618 G N -0.649 108.274 108.800 0.205 0.000 2.404 618 G HA2 0.025 3.985 3.960 -0.001 0.000 0.215 618 G HA3 0.025 3.985 3.960 -0.001 0.000 0.215 618 G C 1.777 176.804 174.900 0.212 0.000 1.174 618 G CA 1.470 46.677 45.100 0.179 0.000 0.780 618 G HN 0.806 nan 8.290 nan 0.000 0.537 619 A N 0.627 123.572 122.820 0.209 0.000 1.883 619 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 619 A C 2.429 180.215 177.584 0.338 0.000 1.186 619 A CA 1.353 53.555 52.037 0.276 0.000 0.624 619 A CB -0.420 18.704 19.000 0.207 0.000 0.822 619 A HN 0.344 nan 8.150 nan 0.000 0.444 620 L N -0.786 120.600 121.223 0.272 0.000 2.156 620 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 620 L C 2.481 179.631 176.870 0.466 0.000 1.095 620 L CA 0.891 55.923 54.840 0.320 0.000 0.770 620 L CB -0.581 41.577 42.059 0.166 0.000 0.914 620 L HN 0.383 nan 8.230 nan 0.000 0.439 621 I N -0.412 120.392 120.570 0.390 0.000 2.142 621 I HA -0.342 3.828 4.170 -0.001 0.000 0.240 621 I C 2.670 178.986 176.117 0.333 0.000 1.078 621 I CA 1.293 62.819 61.300 0.376 0.000 1.343 621 I CB -0.285 37.771 38.000 0.092 0.000 1.046 621 I HN 0.370 nan 8.210 nan 0.000 0.405 622 C N 0.433 119.950 119.300 0.363 0.000 2.425 622 C HA -0.168 4.291 4.460 -0.001 0.000 0.277 622 C C 2.817 178.101 174.990 0.491 0.000 1.280 622 C CA 0.841 60.180 59.018 0.535 0.000 1.744 622 C CB -0.925 27.207 27.740 0.652 0.000 1.989 622 C HN 0.434 nan 8.230 nan 0.000 0.491 623 K N 0.492 121.137 120.400 0.408 0.000 2.057 623 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 623 K C 2.041 178.686 176.600 0.075 0.000 1.050 623 K CA 1.082 57.465 56.287 0.161 0.000 0.935 623 K CB -0.301 32.370 32.500 0.286 0.000 0.715 623 K HN 0.446 nan 8.250 nan 0.000 0.439 624 L N 0.221 121.561 121.223 0.196 0.000 2.141 624 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 624 L C 2.141 179.051 176.870 0.067 0.000 1.094 624 L CA 1.123 56.012 54.840 0.082 0.000 0.763 624 L CB -0.301 41.753 42.059 -0.009 0.000 0.908 624 L HN 0.457 nan 8.230 nan 0.000 0.437 625 W N 1.698 122.970 121.300 -0.048 0.000 2.353 625 W HA -0.251 4.409 4.660 -0.000 0.000 0.319 625 W C 2.391 178.846 176.519 -0.106 0.000 1.207 625 W CA 2.400 59.712 57.345 -0.054 0.000 1.291 625 W CB -0.586 28.881 29.460 0.011 0.000 1.159 625 W HN 0.272 nan 8.180 nan 0.000 0.478 626 I N -1.128 119.237 120.570 -0.342 0.000 2.335 626 I HA -0.261 3.908 4.170 -0.001 0.000 0.251 626 I C 2.176 178.052 176.117 -0.400 0.000 1.129 626 I CA 1.821 62.773 61.300 -0.580 0.000 1.402 626 I CB -0.893 36.724 38.000 -0.638 0.000 1.069 626 I HN 0.096 nan 8.210 nan 0.000 0.424 627 I N 1.192 121.571 120.570 -0.318 0.000 2.133 627 I HA -0.226 3.943 4.170 -0.001 0.000 0.238 627 I C 2.643 178.583 176.117 -0.295 0.000 1.074 627 I CA 1.448 62.581 61.300 -0.280 0.000 1.342 627 I CB -0.353 37.521 38.000 -0.211 0.000 1.053 627 I HN 0.175 nan 8.210 nan 0.000 0.404 628 K N 0.845 121.061 120.400 -0.307 0.000 2.147 628 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 628 K C 1.967 178.357 176.600 -0.350 0.000 1.049 628 K CA 1.623 57.665 56.287 -0.409 0.000 0.936 628 K CB -0.427 31.778 32.500 -0.492 0.000 0.722 628 K HN 0.205 nan 8.250 nan 0.000 0.446 629 T N 0.551 114.909 114.554 -0.327 0.000 2.674 629 T HA -0.141 4.209 4.350 -0.001 0.000 0.265 629 T C 1.555 176.087 174.700 -0.280 0.000 1.039 629 T CA 1.436 63.341 62.100 -0.324 0.000 1.150 629 T CB -0.243 68.340 68.868 -0.476 0.000 0.864 629 T HN 0.367 nan 8.240 nan 0.000 0.427 630 E N 0.790 120.858 120.200 -0.220 0.000 2.110 630 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 630 E C 2.215 178.716 176.600 -0.165 0.000 0.988 630 E CA 1.178 57.484 56.400 -0.158 0.000 0.804 630 E CB -0.059 29.539 29.700 -0.170 0.000 0.745 630 E HN 0.619 nan 8.360 nan 0.000 0.458 631 E N -0.173 119.901 120.200 -0.210 0.000 2.106 631 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 631 E C 2.151 178.623 176.600 -0.213 0.000 0.984 631 E CA 0.959 57.237 56.400 -0.204 0.000 0.806 631 E CB 0.014 29.558 29.700 -0.260 0.000 0.750 631 E HN 0.269 nan 8.360 nan 0.000 0.458 632 M N 0.183 119.631 119.600 -0.254 0.000 2.200 632 M HA -0.100 4.380 4.480 -0.001 0.000 0.265 632 M C 2.219 178.390 176.300 -0.215 0.000 1.066 632 M CA 1.008 56.169 55.300 -0.232 0.000 1.127 632 M CB -0.034 32.423 32.600 -0.238 0.000 1.379 632 M HN 0.190 nan 8.290 nan 0.000 0.420 633 L N -0.749 120.308 121.223 -0.277 0.000 2.046 633 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 633 L C 2.389 179.140 176.870 -0.197 0.000 1.077 633 L CA 0.959 55.589 54.840 -0.350 0.000 0.747 633 L CB -0.705 40.914 42.059 -0.734 0.000 0.896 633 L HN 0.133 nan 8.230 nan 0.000 0.432 634 V N 0.600 120.446 119.914 -0.113 0.000 2.358 634 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 634 V C 2.390 178.451 176.094 -0.055 0.000 1.047 634 V CA 1.996 64.285 62.300 -0.019 0.000 1.035 634 V CB -0.653 31.176 31.823 0.011 0.000 0.658 634 V HN 0.639 nan 8.190 nan 0.000 0.452 635 E N 0.234 120.379 120.200 -0.092 0.000 2.418 635 E HA -0.195 4.155 4.350 -0.001 0.000 0.197 635 E C 1.739 178.293 176.600 -0.077 0.000 1.026 635 E CA 0.773 57.122 56.400 -0.086 0.000 0.862 635 E CB -0.224 29.413 29.700 -0.105 0.000 0.799 635 E HN 0.498 nan 8.360 nan 0.000 0.518 636 K N -0.025 120.323 120.400 -0.087 0.000 2.444 636 K HA 0.087 4.407 4.320 -0.001 0.000 0.193 636 K C 0.896 177.462 176.600 -0.057 0.000 1.024 636 K CA 0.457 56.696 56.287 -0.080 0.000 1.077 636 K CB 0.448 32.884 32.500 -0.108 0.000 0.833 636 K HN 0.364 nan 8.250 nan 0.000 0.517 637 G N 0.691 109.466 108.800 -0.041 0.000 2.194 637 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.236 637 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.236 637 G C -0.163 174.741 174.900 0.006 0.000 0.987 637 G CA -0.398 44.690 45.100 -0.020 0.000 0.635 637 G HN 0.040 nan 8.290 nan 0.000 0.520 638 L N 0.647 121.881 121.223 0.018 0.000 2.439 638 L HA 0.666 5.005 4.340 -0.001 0.000 0.269 638 L C 0.538 177.540 176.870 0.219 0.000 1.179 638 L CA -0.305 54.598 54.840 0.105 0.000 0.828 638 L CB 1.213 43.312 42.059 0.066 0.000 1.106 638 L HN 0.300 nan 8.230 nan 0.000 0.467 639 K N 1.314 121.837 120.400 0.204 0.000 2.206 639 K HA 0.263 4.583 4.320 -0.001 0.000 0.264 639 K C -0.822 175.677 176.600 -0.169 0.000 0.967 639 K CA -0.173 56.163 56.287 0.082 0.000 0.844 639 K CB 0.584 33.098 32.500 0.022 0.000 1.099 639 K HN 0.600 nan 8.250 nan 0.000 0.441 640 H N 2.509 121.298 119.070 -0.469 0.000 2.761 640 H HA 0.520 5.076 4.556 -0.001 0.000 0.284 640 H C -0.307 174.646 175.328 -0.625 0.000 1.105 640 H CA 0.130 55.550 56.048 -1.047 0.000 1.352 640 H CB 0.339 29.673 29.762 -0.714 0.000 1.423 640 H HN 0.887 nan 8.280 nan 0.000 0.464 641 G N 3.148 111.723 108.800 -0.374 0.000 2.347 641 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.303 641 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.303 641 G C -0.452 174.289 174.900 -0.265 0.000 1.481 641 G CA -0.892 43.998 45.100 -0.349 0.000 0.914 641 G HN 0.668 nan 8.290 nan 0.000 0.638 642 W N 0.055 121.259 121.300 -0.160 0.000 2.611 642 W HA 0.102 4.761 4.660 -0.001 0.000 0.251 642 W C 1.939 178.479 176.519 0.034 0.000 1.265 642 W CA 0.864 58.026 57.345 -0.304 0.000 1.295 642 W CB 0.394 29.581 29.460 -0.455 0.000 1.129 642 W HN 0.639 nan 8.180 nan 0.000 0.630 643 D N -1.345 119.182 120.400 0.211 0.000 2.342 643 D HA 0.150 4.790 4.640 -0.001 0.000 0.221 643 D C 1.180 177.580 176.300 0.168 0.000 1.101 643 D CA 0.404 54.517 54.000 0.188 0.000 0.837 643 D CB -0.367 40.496 40.800 0.106 0.000 0.938 643 D HN 0.139 nan 8.370 nan 0.000 0.508 644 G N 0.194 109.114 108.800 0.201 0.000 3.387 644 G HA2 0.160 4.120 3.960 -0.001 0.000 0.194 644 G HA3 0.160 4.120 3.960 -0.001 0.000 0.194 644 G C 0.298 175.300 174.900 0.170 0.000 1.417 644 G CA -0.102 45.075 45.100 0.129 0.000 0.777 644 G HN 0.014 nan 8.290 nan 0.000 0.721 645 D N -1.010 119.445 120.400 0.093 0.000 2.531 645 D HA 0.198 4.838 4.640 -0.001 0.000 0.263 645 D C 0.038 176.338 176.300 -0.000 0.000 1.057 645 D CA 0.483 54.493 54.000 0.016 0.000 0.909 645 D CB 1.240 42.094 40.800 0.090 0.000 1.236 645 D HN 0.286 nan 8.370 nan 0.000 0.494 646 F N 0.312 120.242 119.950 -0.033 0.000 2.664 646 F HA 0.777 5.303 4.527 -0.001 0.000 0.317 646 F C -1.827 173.905 175.800 -0.115 0.000 1.108 646 F CA -1.696 56.270 58.000 -0.056 0.000 0.957 646 F CB 1.672 40.543 39.000 -0.215 0.000 1.365 646 F HN -0.153 nan 8.300 nan 0.000 0.475 647 A N 1.285 123.937 122.820 -0.281 0.000 2.480 647 A HA 0.564 4.883 4.320 -0.001 0.000 0.289 647 A C -2.238 175.196 177.584 -0.249 0.000 1.044 647 A CA -0.587 51.131 52.037 -0.532 0.000 0.761 647 A CB 0.062 18.290 19.000 -1.287 0.000 1.289 647 A HN 0.709 nan 8.150 nan 0.000 0.401 648 Y N 2.420 122.620 120.300 -0.168 0.000 2.632 648 Y HA 0.175 4.725 4.550 -0.001 0.000 0.329 648 Y C 1.548 177.305 175.900 -0.238 0.000 1.174 648 Y CA 0.653 58.664 58.100 -0.148 0.000 1.469 648 Y CB 0.644 39.092 38.460 -0.020 0.000 1.242 648 Y HN 0.733 nan 8.280 nan 0.000 0.540 649 M N 2.079 121.501 119.600 -0.297 0.000 2.653 649 M HA 0.377 4.856 4.480 -0.001 0.000 0.259 649 M C 0.291 176.354 176.300 -0.396 0.000 1.244 649 M CA 0.468 55.468 55.300 -0.501 0.000 1.163 649 M CB 0.661 32.592 32.600 -1.116 0.000 1.309 649 M HN 0.575 nan 8.290 nan 0.000 0.509 650 A N -0.385 122.253 122.820 -0.302 0.000 2.605 650 A HA 0.551 4.870 4.320 -0.001 0.000 0.294 650 A C -2.604 175.059 177.584 0.132 0.000 1.062 650 A CA -0.429 51.588 52.037 -0.032 0.000 0.682 650 A CB 0.943 19.920 19.000 -0.038 0.000 1.278 650 A HN 0.364 nan 8.150 nan 0.000 0.410 651 W N 2.295 123.629 121.300 0.057 0.000 2.587 651 W HA 0.595 5.254 4.660 -0.001 0.000 0.324 651 W C -1.859 174.725 176.519 0.108 0.000 1.008 651 W CA -0.944 56.459 57.345 0.096 0.000 1.265 651 W CB 1.578 31.123 29.460 0.141 0.000 1.328 651 W HN 0.473 nan 8.180 nan 0.000 0.432 652 V N 9.534 129.430 119.914 -0.030 0.000 2.205 652 V HA 0.232 4.351 4.120 -0.001 0.000 0.263 652 V C 0.734 176.637 176.094 -0.318 0.000 1.138 652 V CA -0.041 62.051 62.300 -0.346 0.000 1.059 652 V CB -0.302 31.485 31.823 -0.061 0.000 1.232 652 V HN 0.822 nan 8.190 nan 0.000 0.469 653 H N 2.368 121.167 119.070 -0.452 0.000 2.876 653 H HA -0.216 4.340 4.556 -0.001 0.000 0.089 653 H C 1.200 176.659 175.328 0.217 0.000 0.604 653 H CA 2.159 58.076 56.048 -0.218 0.000 1.675 653 H CB -0.943 28.767 29.762 -0.088 0.000 1.917 653 H HN 0.823 nan 8.280 nan 0.000 0.923 654 D N 2.160 122.800 120.400 0.400 0.000 2.593 654 D HA 0.240 4.879 4.640 -0.001 0.000 0.241 654 D C 0.252 176.844 176.300 0.488 0.000 1.257 654 D CA 0.184 54.447 54.000 0.440 0.000 0.828 654 D CB 0.592 41.542 40.800 0.249 0.000 1.049 654 D HN 0.609 nan 8.370 nan 0.000 0.490 655 E N 0.914 121.439 120.200 0.541 0.000 2.314 655 E HA 0.507 4.856 4.350 -0.001 0.000 0.272 655 E C -1.030 175.839 176.600 0.449 0.000 0.884 655 E CA -0.962 55.721 56.400 0.472 0.000 0.753 655 E CB 2.229 32.083 29.700 0.257 0.000 1.213 655 E HN 0.248 nan 8.360 nan 0.000 0.432 656 I N -0.062 120.675 120.570 0.279 0.000 2.647 656 I HA 0.514 4.683 4.170 -0.001 0.000 0.295 656 I C -1.124 174.908 176.117 -0.141 0.000 1.078 656 I CA -0.958 60.349 61.300 0.012 0.000 1.048 656 I CB 2.215 40.040 38.000 -0.292 0.000 1.239 656 I HN 0.276 nan 8.210 nan 0.000 0.421 657 Q N 4.898 124.519 119.800 -0.298 0.000 2.339 657 Q HA 0.523 4.862 4.340 -0.001 0.000 0.268 657 Q C -1.119 174.600 176.000 -0.468 0.000 1.027 657 Q CA -0.593 54.969 55.803 -0.402 0.000 0.759 657 Q CB 2.788 31.135 28.738 -0.651 0.000 1.244 657 Q HN 0.654 nan 8.270 nan 0.000 0.464 658 V N 0.957 120.645 119.914 -0.376 0.000 2.459 658 V HA 0.685 4.805 4.120 -0.001 0.000 0.295 658 V C 0.614 176.623 176.094 -0.142 0.000 1.029 658 V CA -0.939 61.158 62.300 -0.338 0.000 0.874 658 V CB 1.837 33.423 31.823 -0.395 0.000 0.985 658 V HN 0.765 nan 8.190 nan 0.000 0.438 659 G N 2.394 111.164 108.800 -0.050 0.000 2.372 659 G HA2 0.478 4.438 3.960 -0.001 0.000 0.283 659 G HA3 0.478 4.438 3.960 -0.001 0.000 0.283 659 G C -0.506 174.616 174.900 0.370 0.000 1.177 659 G CA -0.157 45.093 45.100 0.249 0.000 0.842 659 G HN 0.803 nan 8.290 nan 0.000 0.503 660 C N 1.784 121.251 119.300 0.277 0.000 2.634 660 C HA 0.477 4.936 4.460 -0.001 0.000 0.313 660 C C 1.695 176.240 174.990 -0.742 0.000 1.198 660 C CA -0.736 58.198 59.018 -0.141 0.000 1.605 660 C CB 1.951 29.614 27.740 -0.127 0.000 2.196 660 C HN 1.048 nan 8.230 nan 0.000 0.486 661 R N 0.861 120.510 120.500 -1.419 0.000 2.115 661 R HA -0.035 4.305 4.340 -0.001 0.000 0.230 661 R C 0.750 176.633 176.300 -0.696 0.000 1.111 661 R CA 1.797 56.906 56.100 -1.650 0.000 0.976 661 R CB 0.131 29.799 30.300 -1.053 0.000 0.870 661 R HN 0.938 nan 8.270 nan 0.000 0.445 662 T N -4.319 109.984 114.554 -0.418 0.000 2.868 662 T HA 0.206 4.555 4.350 -0.001 0.000 0.306 662 T C 0.389 174.998 174.700 -0.151 0.000 1.224 662 T CA -0.973 60.994 62.100 -0.222 0.000 1.012 662 T CB 1.813 70.581 68.868 -0.168 0.000 1.221 662 T HN 0.090 nan 8.240 nan 0.000 0.499 663 E N 0.610 120.752 120.200 -0.095 0.000 2.085 663 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 663 E C 1.716 178.273 176.600 -0.071 0.000 0.994 663 E CA 1.618 57.979 56.400 -0.065 0.000 0.801 663 E CB -0.043 29.632 29.700 -0.041 0.000 0.743 663 E HN 0.879 nan 8.360 nan 0.000 0.453 664 E N 0.982 121.138 120.200 -0.074 0.000 2.070 664 E HA -0.224 4.126 4.350 -0.001 0.000 0.197 664 E C 2.152 178.699 176.600 -0.087 0.000 1.004 664 E CA 1.136 57.493 56.400 -0.071 0.000 0.805 664 E CB -0.094 29.566 29.700 -0.067 0.000 0.744 664 E HN 0.233 nan 8.360 nan 0.000 0.451 665 I N 0.735 121.238 120.570 -0.112 0.000 2.226 665 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 665 I C 2.591 178.630 176.117 -0.129 0.000 1.100 665 I CA 0.994 62.217 61.300 -0.128 0.000 1.374 665 I CB -0.390 37.517 38.000 -0.156 0.000 1.057 665 I HN 0.209 nan 8.210 nan 0.000 0.413 666 A N 0.082 122.834 122.820 -0.113 0.000 1.940 666 A HA -0.300 4.020 4.320 -0.001 0.000 0.219 666 A C 2.308 179.843 177.584 -0.083 0.000 1.176 666 A CA 1.956 53.936 52.037 -0.095 0.000 0.631 666 A CB -0.710 18.252 19.000 -0.064 0.000 0.814 666 A HN 0.539 nan 8.150 nan 0.000 0.446 667 Q N -0.358 119.400 119.800 -0.070 0.000 2.119 667 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 667 Q C 1.851 177.810 176.000 -0.069 0.000 0.972 667 Q CA 1.825 57.596 55.803 -0.054 0.000 0.847 667 Q CB -0.172 28.541 28.738 -0.043 0.000 0.903 667 Q HN 0.399 nan 8.270 nan 0.000 0.433 668 V N -0.083 119.776 119.914 -0.092 0.000 2.427 668 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 668 V C 2.262 178.268 176.094 -0.147 0.000 1.051 668 V CA 1.242 63.476 62.300 -0.110 0.000 1.048 668 V CB -0.211 31.539 31.823 -0.122 0.000 0.666 668 V HN 0.254 nan 8.190 nan 0.000 0.456 669 V N -0.061 119.743 119.914 -0.182 0.000 2.295 669 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 669 V C 2.197 178.195 176.094 -0.161 0.000 1.049 669 V CA 2.288 64.444 62.300 -0.240 0.000 1.024 669 V CB -0.436 31.225 31.823 -0.270 0.000 0.648 669 V HN 0.432 nan 8.190 nan 0.000 0.447 670 I N -0.234 120.277 120.570 -0.099 0.000 2.163 670 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 670 I C 2.566 178.678 176.117 -0.008 0.000 1.085 670 I CA 1.843 63.123 61.300 -0.034 0.000 1.347 670 I CB -0.390 37.603 38.000 -0.012 0.000 1.044 670 I HN 0.399 nan 8.210 nan 0.000 0.408 671 E N 0.122 120.306 120.200 -0.027 0.000 2.077 671 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 671 E C 2.118 178.711 176.600 -0.012 0.000 0.989 671 E CA 1.893 58.286 56.400 -0.012 0.000 0.800 671 E CB -0.155 29.530 29.700 -0.026 0.000 0.746 671 E HN 0.464 nan 8.360 nan 0.000 0.452 672 T N 0.997 115.517 114.554 -0.057 0.000 2.746 672 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 672 T C 2.037 176.721 174.700 -0.025 0.000 1.039 672 T CA 1.252 63.306 62.100 -0.076 0.000 1.142 672 T CB -0.303 68.468 68.868 -0.162 0.000 0.866 672 T HN 0.264 nan 8.240 nan 0.000 0.444 673 A N 1.337 124.152 122.820 -0.009 0.000 1.940 673 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 673 A C 2.290 180.094 177.584 0.366 0.000 1.176 673 A CA 2.082 54.206 52.037 0.145 0.000 0.631 673 A CB -0.759 18.332 19.000 0.151 0.000 0.814 673 A HN 0.446 nan 8.150 nan 0.000 0.446 674 Q N 0.217 120.137 119.800 0.201 0.000 2.084 674 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 674 Q C 1.800 177.879 176.000 0.132 0.000 0.978 674 Q CA 2.304 58.198 55.803 0.152 0.000 0.844 674 Q CB -0.427 28.363 28.738 0.087 0.000 0.898 674 Q HN 0.759 nan 8.270 nan 0.000 0.426 675 E N -0.231 120.030 120.200 0.102 0.000 2.077 675 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 675 E C 1.925 178.621 176.600 0.159 0.000 0.989 675 E CA 0.960 57.419 56.400 0.098 0.000 0.800 675 E CB -0.281 29.449 29.700 0.049 0.000 0.746 675 E HN 0.495 nan 8.360 nan 0.000 0.452 676 A N 1.308 124.229 122.820 0.169 0.000 1.883 676 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 676 A C 2.155 179.965 177.584 0.375 0.000 1.186 676 A CA 1.735 53.910 52.037 0.230 0.000 0.624 676 A CB -0.466 18.631 19.000 0.163 0.000 0.822 676 A HN 0.198 nan 8.150 nan 0.000 0.444 677 M N -0.130 119.673 119.600 0.338 0.000 2.065 677 M HA -0.145 4.335 4.480 -0.001 0.000 0.259 677 M C 1.987 178.323 176.300 0.060 0.000 1.069 677 M CA 1.666 56.991 55.300 0.042 0.000 1.110 677 M CB -0.545 31.931 32.600 -0.207 0.000 1.328 677 M HN 0.312 nan 8.290 nan 0.000 0.405 678 R N -1.282 119.272 120.500 0.090 0.000 2.105 678 R HA -0.203 4.136 4.340 -0.001 0.000 0.239 678 R C 2.119 178.471 176.300 0.087 0.000 1.135 678 R CA 1.800 57.942 56.100 0.070 0.000 0.967 678 R CB -1.669 28.675 30.300 0.074 0.000 0.861 678 R HN 0.681 nan 8.270 nan 0.000 0.442 679 W N 1.377 122.668 121.300 -0.015 0.000 2.332 679 W HA -0.230 4.430 4.660 -0.001 0.000 0.321 679 W C 2.088 178.568 176.519 -0.065 0.000 1.219 679 W CA 1.618 58.943 57.345 -0.034 0.000 1.277 679 W CB -0.433 28.998 29.460 -0.047 0.000 1.161 679 W HN -0.204 nan 8.180 nan 0.000 0.476 680 V N 1.336 121.390 119.914 0.233 0.000 2.324 680 V HA -0.303 3.816 4.120 -0.001 0.000 0.250 680 V C 2.433 178.409 176.094 -0.197 0.000 1.060 680 V CA 2.186 64.462 62.300 -0.041 0.000 1.042 680 V CB -1.803 30.040 31.823 0.034 0.000 0.650 680 V HN 0.482 nan 8.190 nan 0.000 0.450 681 G N -0.590 108.142 108.800 -0.115 0.000 2.442 681 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.219 681 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.219 681 G C 1.309 176.181 174.900 -0.047 0.000 1.141 681 G CA 1.213 46.264 45.100 -0.082 0.000 0.763 681 G HN 0.624 nan 8.290 nan 0.000 0.554 682 D N -0.827 119.482 120.400 -0.153 0.000 2.162 682 D HA -0.116 4.524 4.640 -0.001 0.000 0.203 682 D C 2.056 178.184 176.300 -0.287 0.000 0.967 682 D CA 0.833 54.719 54.000 -0.190 0.000 0.840 682 D CB -0.206 40.445 40.800 -0.249 0.000 0.972 682 D HN 0.404 nan 8.370 nan 0.000 0.482 683 H N -1.107 117.580 119.070 -0.639 0.000 2.390 683 H HA -0.121 4.435 4.556 -0.001 0.000 0.298 683 H C 0.557 175.671 175.328 -0.357 0.000 1.106 683 H CA 1.708 57.295 56.048 -0.767 0.000 1.297 683 H CB -0.026 28.977 29.762 -1.265 0.000 1.375 683 H HN 0.270 nan 8.280 nan 0.000 0.509 684 W N 1.097 122.287 121.300 -0.184 0.000 3.015 684 W HA 0.309 4.968 4.660 -0.001 0.000 0.429 684 W C -0.080 176.432 176.519 -0.012 0.000 0.976 684 W CA -0.460 56.814 57.345 -0.118 0.000 2.086 684 W CB -0.566 28.889 29.460 -0.009 0.000 1.125 684 W HN 0.215 nan 8.180 nan 0.000 0.721 685 N N 0.679 119.458 118.700 0.132 0.000 2.707 685 N HA -0.271 4.469 4.740 -0.001 0.000 0.253 685 N C -0.403 175.240 175.510 0.221 0.000 0.998 685 N CA 0.977 54.100 53.050 0.122 0.000 0.751 685 N CB -1.849 36.686 38.487 0.079 0.000 0.920 685 N HN -0.001 nan 8.380 nan 0.000 0.539 686 F N 1.126 121.081 119.950 0.008 0.000 2.529 686 F HA 0.048 4.575 4.527 -0.000 0.000 0.365 686 F C 2.061 177.942 175.800 0.135 0.000 1.102 686 F CA -0.227 57.743 58.000 -0.051 0.000 1.271 686 F CB 0.648 39.562 39.000 -0.144 0.000 1.120 686 F HN -0.031 nan 8.300 nan 0.000 0.579 687 R N 2.470 123.095 120.500 0.208 0.000 2.323 687 R HA 0.030 4.370 4.340 -0.001 0.000 0.198 687 R C -0.279 176.039 176.300 0.030 0.000 0.988 687 R CA 0.257 56.381 56.100 0.041 0.000 1.041 687 R CB -0.564 29.640 30.300 -0.160 0.000 0.926 687 R HN 0.420 nan 8.270 nan 0.000 0.476 688 C N 1.234 120.582 119.300 0.080 0.000 2.441 688 C HA 0.399 4.858 4.460 -0.001 0.000 0.318 688 C C -0.153 174.965 174.990 0.213 0.000 1.222 688 C CA -1.410 57.686 59.018 0.131 0.000 1.474 688 C CB 0.357 28.177 27.740 0.132 0.000 2.125 688 C HN 0.313 nan 8.230 nan 0.000 0.479 689 L N 6.402 127.699 121.223 0.122 0.000 2.499 689 L HA 0.365 4.705 4.340 -0.001 0.000 0.273 689 L C -0.402 176.523 176.870 0.091 0.000 1.195 689 L CA 0.816 55.714 54.840 0.097 0.000 0.882 689 L CB 0.290 42.382 42.059 0.055 0.000 1.133 689 L HN 0.591 nan 8.230 nan 0.000 0.483 690 L N 4.921 126.182 121.223 0.063 0.000 2.325 690 L HA 0.533 4.872 4.340 -0.001 0.000 0.279 690 L C -0.342 176.515 176.870 -0.022 0.000 1.054 690 L CA -0.602 54.243 54.840 0.009 0.000 0.804 690 L CB 1.381 43.403 42.059 -0.062 0.000 1.200 690 L HN 0.628 nan 8.230 nan 0.000 0.436 691 D N 0.074 120.449 120.400 -0.042 0.000 2.579 691 D HA 0.608 5.247 4.640 -0.001 0.000 0.257 691 D C -0.881 175.374 176.300 -0.074 0.000 1.176 691 D CA -0.112 53.865 54.000 -0.038 0.000 0.914 691 D CB 2.846 43.643 40.800 -0.005 0.000 1.431 691 D HN 0.593 nan 8.370 nan 0.000 0.454 692 T N -2.771 111.763 114.554 -0.034 0.000 2.868 692 T HA 0.573 4.922 4.350 -0.001 0.000 0.306 692 T C -0.977 173.755 174.700 0.053 0.000 1.224 692 T CA -0.889 61.202 62.100 -0.016 0.000 1.012 692 T CB 2.574 71.437 68.868 -0.008 0.000 1.221 692 T HN 0.334 nan 8.240 nan 0.000 0.499 693 E N 0.272 120.524 120.200 0.087 0.000 2.199 693 E HA 0.622 4.972 4.350 -0.001 0.000 0.269 693 E C -0.430 176.245 176.600 0.126 0.000 0.899 693 E CA -1.005 55.453 56.400 0.097 0.000 0.772 693 E CB 1.371 31.129 29.700 0.096 0.000 1.155 693 E HN 1.025 nan 8.360 nan 0.000 0.408 694 G N 3.236 112.098 108.800 0.104 0.000 2.495 694 G HA2 0.492 4.451 3.960 -0.001 0.000 0.318 694 G HA3 0.492 4.451 3.960 -0.001 0.000 0.318 694 G C -1.204 173.748 174.900 0.088 0.000 1.257 694 G CA -0.658 44.504 45.100 0.103 0.000 0.962 694 G HN 0.415 nan 8.290 nan 0.000 0.483 695 K N 2.058 122.516 120.400 0.097 0.000 2.463 695 K HA 0.362 4.681 4.320 -0.001 0.000 0.255 695 K C -0.531 176.113 176.600 0.074 0.000 0.942 695 K CA -0.633 55.709 56.287 0.090 0.000 0.814 695 K CB 2.770 35.344 32.500 0.123 0.000 1.122 695 K HN 0.543 nan 8.250 nan 0.000 0.425 696 M N 2.061 121.693 119.600 0.054 0.000 2.277 696 M HA 0.535 5.014 4.480 -0.001 0.000 0.350 696 M C -0.302 176.031 176.300 0.055 0.000 1.180 696 M CA 0.348 55.672 55.300 0.040 0.000 1.103 696 M CB 1.098 33.711 32.600 0.021 0.000 1.577 696 M HN 0.850 nan 8.290 nan 0.000 0.459 697 G N 3.613 112.448 108.800 0.058 0.000 2.342 697 G HA2 0.348 4.307 3.960 -0.001 0.000 0.297 697 G HA3 0.348 4.307 3.960 -0.001 0.000 0.297 697 G C -3.155 171.788 174.900 0.072 0.000 1.313 697 G CA -0.673 44.468 45.100 0.069 0.000 0.830 697 G HN 0.416 nan 8.290 nan 0.000 0.506 698 P HA 0.068 nan 4.420 nan 0.000 0.221 698 P C 0.266 177.596 177.300 0.051 0.000 1.155 698 P CA 1.148 64.273 63.100 0.042 0.000 0.812 698 P CB 0.243 31.953 31.700 0.018 0.000 0.801 699 N N -3.583 115.188 118.700 0.119 0.000 3.344 699 N HA 0.055 4.795 4.740 -0.001 0.000 0.296 699 N C 0.029 175.736 175.510 0.329 0.000 1.571 699 N CA -0.824 52.351 53.050 0.208 0.000 0.844 699 N CB -0.535 38.066 38.487 0.190 0.000 1.718 699 N HN -0.295 nan 8.380 nan 0.000 0.589 700 W N 0.150 121.580 121.300 0.216 0.000 2.467 700 W HA 0.325 4.984 4.660 -0.001 0.000 0.275 700 W C 1.849 178.465 176.519 0.162 0.000 1.239 700 W CA 1.407 58.872 57.345 0.200 0.000 1.266 700 W CB -1.069 28.477 29.460 0.142 0.000 1.112 700 W HN 0.765 nan 8.180 nan 0.000 0.576 701 A N -0.266 122.770 122.820 0.359 0.000 1.969 701 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 701 A C 1.832 179.533 177.584 0.195 0.000 1.169 701 A CA 1.689 53.855 52.037 0.214 0.000 0.635 701 A CB -0.565 18.533 19.000 0.163 0.000 0.810 701 A HN 0.136 nan 8.150 nan 0.000 0.445 702 I N -1.416 119.277 120.570 0.205 0.000 3.035 702 I HA -0.033 4.136 4.170 -0.001 0.000 0.271 702 I C 1.383 177.615 176.117 0.191 0.000 1.190 702 I CA 0.596 61.992 61.300 0.161 0.000 1.472 702 I CB 0.001 38.075 38.000 0.124 0.000 1.116 702 I HN 0.286 nan 8.210 nan 0.000 0.443 703 C N 0.165 119.627 119.300 0.271 0.000 2.625 703 C HA 0.252 4.712 4.460 -0.001 0.000 0.285 703 C C 0.827 176.069 174.990 0.420 0.000 1.279 703 C CA -0.047 59.144 59.018 0.287 0.000 1.698 703 C CB -2.230 25.650 27.740 0.233 0.000 1.821 703 C HN 0.454 nan 8.230 nan 0.000 0.600 704 H N 0.000 119.241 119.070 0.286 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 704 H CA 0.000 56.204 56.048 0.260 0.000 1.023 704 H CB 0.000 29.991 29.762 0.381 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496